(3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide

C25H26N4OS — CID 42592946

About (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide

(3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 42592946) has the molecular formula C25H26N4OS and a molecular weight of 430.58 g/mol. Its IUPAC name is (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
• PubChem CID: 42592946
• Molecular Formula: C25H26N4OS
• Molecular Weight: 430.58 g/mol
• Exact Mass: 430.18
• IUPAC Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
• SMILES: Cc1ncc(CN2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)s1
• InChI: InChI=1S/C25H26N4OS/c1-17-26-14-22(31-17)16-29-11-5-8-20(15-29)25(30)27-21-9-4-7-18(12-21)24-13-19-6-2-3-10-23(19)28-24/h2-4,6-7,9-10,12-14,20,28H,5,8,11,15-16H2,1H3,(H,27,30)/t20-/m0/s1
• InChIKey: NPGLHCSJACYFTB-FQEVSTJZSA-N
• XLogP: 5.45
• TPSA: 61.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.58
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide?

The IUPAC name of (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide (CID 42592946) is (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide?

The canonical SMILES for (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide is Cc1ncc(CN2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)s1.

What is the InChIKey of (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide?

The InChIKey is NPGLHCSJACYFTB-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H26N4OS/c1-17-26-14-22(31-17)16-29-11-5-8-20(15-29)25(30)27-21-9-4-7-18(12-21)24-13-19-6-2-3-10-23(19)28-24/h2-4,6-7,9-10,12-14,20,28H,5,8,11,15-16H2,1H3,(H,27,30)/t20-/m0/s1.

What are the key properties of (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide?

(3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 430.58 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 42592946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).