2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]-2-phenylacetamide;phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate

C142H168F2N20O13S — CID 158813608

About 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]-2-phenylacetamide;phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate

2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]-2-phenylacetamide;phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate (PubChem CID 158813608) has the molecular formula C142H168F2N20O13S and a molecular weight of 2433.10 g/mol. Its IUPAC name is 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]-2-phenylacetamide;phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate.

Molecular Properties

• Compound Name: 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]-2-phenylacetamide;phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate
• PubChem CID: 158813608
• Molecular Formula: C142H168F2N20O13S
• Molecular Weight: 2433.10 g/mol
• Exact Mass: 2431.28
• IUPAC Name: 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]-2-phenylacetamide;phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate
• SMILES: CC(C)(C)OC(=O)NC1CCN(CC(=O)NCC(Cc2cccnc2)c2ccccc2)CC1.O=C(CN1CCC(NC(=O)Cc2ccccc2)CC1)NCC(Cc1cccnc1)c1ccccc1.O=C(CN1CCC(NC(=O)Oc2ccccc2)CC1)NCC(Cc1cccnc1)c1ccccc1.O=C(CN1CCC(NC(=O)c2ccccc2)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1.O=C(CN1CCC(NS(=O)(=O)c2ccccc2)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1
• InChI: InChI=1S/C30H33FN4O2.C29H33FN4O3S.C29H34N4O2.C28H32N4O3.C26H36N4O3/c31-24-9-10-26-23(18-24)8-11-28(27(26)17-21-5-4-14-32-19-21)34-29(36)20-35-15-12-25(13-16-35)33-30(37)22-6-2-1-3-7-22;30-23-9-10-26-22(18-23)8-11-28(27(26)17-21-5-4-14-31-19-21)32-29(35)20-34-15-12-24(13-16-34)33-38(36,37)25-6-2-1-3-7-25;34-28(19-23-8-3-1-4-9-23)32-27-13-16-33(17-14-27)22-29(35)31-21-26(25-11-5-2-6-12-25)18-24-10-7-15-30-20-24;33-27(30-20-24(23-9-3-1-4-10-23)18-22-8-7-15-29-19-22)21-32-16-13-25(14-17-32)31-28(34)35-26-11-5-2-6-12-26;1-26(2,3)33-25(32)29-23-11-14-30(15-12-23)19-24(31)28-18-22(21-9-5-4-6-10-21)16-20-8-7-13-27-17-20/h1-7,9-10,14,18-19,25,27-28H,8,11-13,15-17,20H2,(H,33,37)(H,34,36);1-7,9-10,14,18-19,24,27-28,33H,8,11-13,15-17,20H2,(H,32,35);1-12,15,20,26-27H,13-14,16-19,21-22H2,(H,31,35)(H,32,34);1-12,15,19,24-25H,13-14,16-18,20-21H2,(H,30,33)(H,31,34);4-10,13,17,22-23H,11-12,14-16,18-19H2,1-3H3,(H,28,31)(H,29,32)
• InChIKey: IUZJRHHPJBOBRO-UHFFFAOYSA-N
• XLogP: 17.93
• TPSA: 407.18 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 23
• Rotatable Bonds: 42
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2433.10
LogP ≤ 5	17.93
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]-2-phenylacetamide;phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate?

The IUPAC name of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]-2-phenylacetamide;phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate (CID 158813608) is 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]-2-phenylacetamide;phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate.

What is the SMILES notation for 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]-2-phenylacetamide;phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate?

The canonical SMILES for 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]-2-phenylacetamide;phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(CC(=O)NCC(Cc2cccnc2)c2ccccc2)CC1.O=C(CN1CCC(NC(=O)Cc2ccccc2)CC1)NCC(Cc1cccnc1)c1ccccc1.O=C(CN1CCC(NC(=O)Oc2ccccc2)CC1)NCC(Cc1cccnc1)c1ccccc1.O=C(CN1CCC(NC(=O)c2ccccc2)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1.O=C(CN1CCC(NS(=O)(=O)c2ccccc2)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1.

What is the InChIKey of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]-2-phenylacetamide;phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate?

The InChIKey is IUZJRHHPJBOBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN4O2.C29H33FN4O3S.C29H34N4O2.C28H32N4O3.C26H36N4O3/c31-24-9-10-26-23(18-24)8-11-28(27(26)17-21-5-4-14-32-19-21)34-29(36)20-35-15-12-25(13-16-35)33-30(37)22-6-2-1-3-7-22;30-23-9-10-26-22(18-23)8-11-28(27(26)17-21-5-4-14-31-19-21)32-29(35)20-34-15-12-24(13-16-34)33-38(36,37)25-6-2-1-3-7-25;34-28(19-23-8-3-1-4-9-23)32-27-13-16-33(17-14-27)22-29(35)31-21-26(25-11-5-2-6-12-25)18-24-10-7-15-30-20-24;33-27(30-20-24(23-9-3-1-4-10-23)18-22-8-7-15-29-19-22)21-32-16-13-25(14-17-32)31-28(34)35-26-11-5-2-6-12-26;1-26(2,3)33-25(32)29-23-11-14-30(15-12-23)19-24(31)28-18-22(21-9-5-4-6-10-21)16-20-8-7-13-27-17-20/h1-7,9-10,14,18-19,25,27-28H,8,11-13,15-17,20H2,(H,33,37)(H,34,36);1-7,9-10,14,18-19,24,27-28,33H,8,11-13,15-17,20H2,(H,32,35);1-12,15,20,26-27H,13-14,16-19,21-22H2,(H,31,35)(H,32,34);1-12,15,19,24-25H,13-14,16-18,20-21H2,(H,30,33)(H,31,34);4-10,13,17,22-23H,11-12,14-16,18-19H2,1-3H3,(H,28,31)(H,29,32).

What are the key properties of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]-2-phenylacetamide;phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate?

2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]-2-phenylacetamide;phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate has a molecular weight of 2433.10 g/mol, XLogP of 17.93, 42 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]-2-phenylacetamide;phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 158813608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).