1-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide

C28H33F6N5O2 — CID 150141528

About 1-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide

1-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide (PubChem CID 150141528) has the molecular formula C28H33F6N5O2 and a molecular weight of 585.59 g/mol. Its IUPAC name is 1-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide
• PubChem CID: 150141528
• Molecular Formula: C28H33F6N5O2
• Molecular Weight: 585.59 g/mol
• Exact Mass: 585.25
• IUPAC Name: 1-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide
• SMILES: O=C(NC1CCCc2ccccc21)C1CCCCN1C1CCN(C(=O)Cn2nc(C(F)(F)F)cc2C(F)(F)F)CC1
• InChI: InChI=1S/C28H33F6N5O2/c29-27(30,31)23-16-24(28(32,33)34)39(36-23)17-25(40)37-14-11-19(12-15-37)38-13-4-3-10-22(38)26(41)35-21-9-5-7-18-6-1-2-8-20(18)21/h1-2,6,8,16,19,21-22H,3-5,7,9-15,17H2,(H,35,41)
• InChIKey: FDJNTFUWWGWPAL-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.59
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide?

The IUPAC name of 1-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide (CID 150141528) is 1-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide.

What is the SMILES notation for 1-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide?

The canonical SMILES for 1-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide is O=C(NC1CCCc2ccccc21)C1CCCCN1C1CCN(C(=O)Cn2nc(C(F)(F)F)cc2C(F)(F)F)CC1.

What is the InChIKey of 1-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide?

The InChIKey is FDJNTFUWWGWPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F6N5O2/c29-27(30,31)23-16-24(28(32,33)34)39(36-23)17-25(40)37-14-11-19(12-15-37)38-13-4-3-10-22(38)26(41)35-21-9-5-7-18-6-1-2-8-20(18)21/h1-2,6,8,16,19,21-22H,3-5,7,9-15,17H2,(H,35,41).

What are the key properties of 1-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide?

1-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide has a molecular weight of 585.59 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide is sourced from PubChem (CID 150141528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).