N-cyclohexyl-4-[[(2S)-1-(2,2-diphenylethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-methylpiperidine-4-carboxamide

C38H47N5O2 — CID 70679907

About N-cyclohexyl-4-[[(2S)-1-(2,2-diphenylethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-methylpiperidine-4-carboxamide

N-cyclohexyl-4-[[(2S)-1-(2,2-diphenylethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-methylpiperidine-4-carboxamide (PubChem CID 70679907) has the molecular formula C38H47N5O2 and a molecular weight of 605.83 g/mol. Its IUPAC name is N-cyclohexyl-4-[[(2S)-1-(2,2-diphenylethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-methylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-cyclohexyl-4-[[(2S)-1-(2,2-diphenylethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-methylpiperidine-4-carboxamide
• PubChem CID: 70679907
• Molecular Formula: C38H47N5O2
• Molecular Weight: 605.83 g/mol
• Exact Mass: 605.37
• IUPAC Name: N-cyclohexyl-4-[[(2S)-1-(2,2-diphenylethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-methylpiperidine-4-carboxamide
• SMILES: CN1CCC(N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC(c2ccccc2)c2ccccc2)(C(=O)NC2CCCCC2)CC1
• InChI: InChI=1S/C38H47N5O2/c1-43-23-21-38(22-24-43,37(45)41-31-17-9-4-10-18-31)42-35(25-30-26-39-34-20-12-11-19-32(30)34)36(44)40-27-33(28-13-5-2-6-14-28)29-15-7-3-8-16-29/h2-3,5-8,11-16,19-20,26,31,33,35,39,42H,4,9-10,17-18,21-25,27H2,1H3,(H,40,44)(H,41,45)/t35-/m0/s1
• InChIKey: YDBPRJIYPLAFLH-DHUJRADRSA-N
• XLogP: 5.53
• TPSA: 89.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.83
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[(2S)-1-(2,2-diphenylethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-methylpiperidine-4-carboxamide?

The IUPAC name of N-cyclohexyl-4-[[(2S)-1-(2,2-diphenylethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-methylpiperidine-4-carboxamide (CID 70679907) is N-cyclohexyl-4-[[(2S)-1-(2,2-diphenylethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-methylpiperidine-4-carboxamide.

What is the SMILES notation for N-cyclohexyl-4-[[(2S)-1-(2,2-diphenylethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-methylpiperidine-4-carboxamide?

The canonical SMILES for N-cyclohexyl-4-[[(2S)-1-(2,2-diphenylethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-methylpiperidine-4-carboxamide is CN1CCC(N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC(c2ccccc2)c2ccccc2)(C(=O)NC2CCCCC2)CC1.

What is the InChIKey of N-cyclohexyl-4-[[(2S)-1-(2,2-diphenylethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-methylpiperidine-4-carboxamide?

The InChIKey is YDBPRJIYPLAFLH-DHUJRADRSA-N. The full InChI is InChI=1S/C38H47N5O2/c1-43-23-21-38(22-24-43,37(45)41-31-17-9-4-10-18-31)42-35(25-30-26-39-34-20-12-11-19-32(30)34)36(44)40-27-33(28-13-5-2-6-14-28)29-15-7-3-8-16-29/h2-3,5-8,11-16,19-20,26,31,33,35,39,42H,4,9-10,17-18,21-25,27H2,1H3,(H,40,44)(H,41,45)/t35-/m0/s1.

What are the key properties of N-cyclohexyl-4-[[(2S)-1-(2,2-diphenylethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-methylpiperidine-4-carboxamide?

N-cyclohexyl-4-[[(2S)-1-(2,2-diphenylethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-methylpiperidine-4-carboxamide has a molecular weight of 605.83 g/mol, XLogP of 5.53, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-4-[[(2S)-1-(2,2-diphenylethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 70679907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).