N-[1-[[1-(4,4a-dihydronaphthalen-2-yl)-3-hydroxypropan-2-yl]-methylamino]-3-(2,3-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide

C33H41N3O3 — CID 163682289

About N-[1-[[1-(4,4a-dihydronaphthalen-2-yl)-3-hydroxypropan-2-yl]-methylamino]-3-(2,3-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide

N-[1-[[1-(4,4a-dihydronaphthalen-2-yl)-3-hydroxypropan-2-yl]-methylamino]-3-(2,3-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide (PubChem CID 163682289) has the molecular formula C33H41N3O3 and a molecular weight of 527.71 g/mol. Its IUPAC name is N-[1-[[1-(4,4a-dihydronaphthalen-2-yl)-3-hydroxypropan-2-yl]-methylamino]-3-(2,3-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[1-(4,4a-dihydronaphthalen-2-yl)-3-hydroxypropan-2-yl]-methylamino]-3-(2,3-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide
• PubChem CID: 163682289
• Molecular Formula: C33H41N3O3
• Molecular Weight: 527.71 g/mol
• Exact Mass: 527.31
• IUPAC Name: N-[1-[[1-(4,4a-dihydronaphthalen-2-yl)-3-hydroxypropan-2-yl]-methylamino]-3-(2,3-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide
• SMILES: CN(C(=O)C(CC1C=c2ccccc2=CC1)NC(=O)C1CCNCC1)C(CO)CC1=CCC2C=CC=CC2=C1
• InChI: InChI=1S/C33H41N3O3/c1-36(30(22-37)20-23-10-12-25-6-2-4-8-28(25)18-23)33(39)31(35-32(38)27-14-16-34-17-15-27)21-24-11-13-26-7-3-5-9-29(26)19-24/h2-10,13,18-19,24-25,27,30-31,34,37H,11-12,14-17,20-22H2,1H3,(H,35,38)
• InChIKey: JLVGMTUHONCZCU-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 81.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.71
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(4,4a-dihydronaphthalen-2-yl)-3-hydroxypropan-2-yl]-methylamino]-3-(2,3-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide?

The IUPAC name of N-[1-[[1-(4,4a-dihydronaphthalen-2-yl)-3-hydroxypropan-2-yl]-methylamino]-3-(2,3-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide (CID 163682289) is N-[1-[[1-(4,4a-dihydronaphthalen-2-yl)-3-hydroxypropan-2-yl]-methylamino]-3-(2,3-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide.

What is the SMILES notation for N-[1-[[1-(4,4a-dihydronaphthalen-2-yl)-3-hydroxypropan-2-yl]-methylamino]-3-(2,3-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide?

The canonical SMILES for N-[1-[[1-(4,4a-dihydronaphthalen-2-yl)-3-hydroxypropan-2-yl]-methylamino]-3-(2,3-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide is CN(C(=O)C(CC1C=c2ccccc2=CC1)NC(=O)C1CCNCC1)C(CO)CC1=CCC2C=CC=CC2=C1.

What is the InChIKey of N-[1-[[1-(4,4a-dihydronaphthalen-2-yl)-3-hydroxypropan-2-yl]-methylamino]-3-(2,3-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide?

The InChIKey is JLVGMTUHONCZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N3O3/c1-36(30(22-37)20-23-10-12-25-6-2-4-8-28(25)18-23)33(39)31(35-32(38)27-14-16-34-17-15-27)21-24-11-13-26-7-3-5-9-29(26)19-24/h2-10,13,18-19,24-25,27,30-31,34,37H,11-12,14-17,20-22H2,1H3,(H,35,38).

What are the key properties of N-[1-[[1-(4,4a-dihydronaphthalen-2-yl)-3-hydroxypropan-2-yl]-methylamino]-3-(2,3-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide?

N-[1-[[1-(4,4a-dihydronaphthalen-2-yl)-3-hydroxypropan-2-yl]-methylamino]-3-(2,3-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide has a molecular weight of 527.71 g/mol, XLogP of 2.35, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[1-(4,4a-dihydronaphthalen-2-yl)-3-hydroxypropan-2-yl]-methylamino]-3-(2,3-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 163682289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).