N-[(2R)-1-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-methylpiperidine-4-carboxamide

C31H36N4O3 — CID 10229437

About N-[(2R)-1-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-methylpiperidine-4-carboxamide

N-[(2R)-1-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-methylpiperidine-4-carboxamide (PubChem CID 10229437) has the molecular formula C31H36N4O3 and a molecular weight of 512.65 g/mol. Its IUPAC name is N-[(2R)-1-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-methylpiperidine-4-carboxamide
• PubChem CID: 10229437
• Molecular Formula: C31H36N4O3
• Molecular Weight: 512.65 g/mol
• Exact Mass: 512.28
• IUPAC Name: N-[(2R)-1-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-methylpiperidine-4-carboxamide
• SMILES: CN1CCC(C(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)CC1
• InChI: InChI=1S/C31H36N4O3/c1-35-14-12-23(13-15-35)30(37)34-29(17-21-10-11-22-6-2-3-7-24(22)16-21)31(38)33-26(20-36)18-25-19-32-28-9-5-4-8-27(25)28/h2-11,16,19,23,26,29,32,36H,12-15,17-18,20H2,1H3,(H,33,38)(H,34,37)/t26-,29-/m1/s1
• InChIKey: LPCLMUTWOFTIIP-GGXMVOPNSA-N
• XLogP: 3.41
• TPSA: 97.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.65
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-methylpiperidine-4-carboxamide?

The IUPAC name of N-[(2R)-1-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-methylpiperidine-4-carboxamide (CID 10229437) is N-[(2R)-1-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-methylpiperidine-4-carboxamide.

What is the SMILES notation for N-[(2R)-1-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-methylpiperidine-4-carboxamide?

The canonical SMILES for N-[(2R)-1-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)CC1.

What is the InChIKey of N-[(2R)-1-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-methylpiperidine-4-carboxamide?

The InChIKey is LPCLMUTWOFTIIP-GGXMVOPNSA-N. The full InChI is InChI=1S/C31H36N4O3/c1-35-14-12-23(13-15-35)30(37)34-29(17-21-10-11-22-6-2-3-7-24(22)16-21)31(38)33-26(20-36)18-25-19-32-28-9-5-4-8-27(25)28/h2-11,16,19,23,26,29,32,36H,12-15,17-18,20H2,1H3,(H,33,38)(H,34,37)/t26-,29-/m1/s1.

What are the key properties of N-[(2R)-1-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-methylpiperidine-4-carboxamide?

N-[(2R)-1-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-methylpiperidine-4-carboxamide has a molecular weight of 512.65 g/mol, XLogP of 3.41, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 10229437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).