(3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide

Name: (3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₉N₃O — CID 81134213

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide

SMILESCc1ccc(C)n1NC(=O)[C@H]1CCCNC1

InChIInChI=1S/C12H19N3O/c1-9-5-6-10(2)15(9)14-12(16)11-4-3-7-13-8-11/h5-6,11,13H,3-4,7-8H2,1-2H3,(H,14,16)/t11-/m0/s1

InChIKeyJPLCOIDWDBHHFY-NSHDSACASA-N

MW221.30 g/mol

LogP1.17

Rot. Bonds2

About (3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide

(3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide (PubChem CID 81134213) has the molecular formula C₁₂H₁₉N₃O and a molecular weight of 221.30 g/mol. Its IUPAC name is (3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name	(3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide
PubChem CID	81134213
Molecular Formula	C₁₂H₁₉N₃O
Molecular Weight	221.30 g/mol
Exact Mass	221.15
IUPAC Name	(3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide
SMILES	Cc1ccc(C)n1NC(=O)[C@H]1CCCNC1
InChI	InChI=1S/C12H19N3O/c1-9-5-6-10(2)15(9)14-12(16)11-4-3-7-13-8-11/h5-6,11,13H,3-4,7-8H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKey	JPLCOIDWDBHHFY-NSHDSACASA-N
XLogP	1.17
TPSA	46.06 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	2
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	221.30
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide?

The IUPAC name of (3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide (CID 81134213) is (3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide.

What is the SMILES notation for (3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide?

The canonical SMILES for (3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide is Cc1ccc(C)n1NC(=O)[C@H]1CCCNC1.

What is the InChIKey of (3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide?

The InChIKey is JPLCOIDWDBHHFY-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-5-6-10(2)15(9)14-12(16)11-4-3-7-13-8-11/h5-6,11,13H,3-4,7-8H2,1-2H3,(H,14,16)/t11-/m0/s1.

What are the key properties of (3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide?

(3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide is sourced from PubChem (CID 81134213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 81134213 — identifiers, structure, computed properties (public domain)

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