(3R)-1-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzoyl]piperidine-3-carboxamide

C19H19N5O2 — CID 125442231

IUPAC(3R)-1-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzoyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(C(=O)c2cccc(-c3ncnc4[nH]ccc34)c2)C1
InChIInChI=1S/C19H19N5O2/c20-17(25)14-5-2-8-24(10-14)19(26)13-4-1-3-12(9-13)16-15-6-7-21-18(15)23-11-22-16/h1,3-4,6-7,9,11,14H,2,5,8,10H2,(H2,20,25)(H,21,22,23)/t14-/m1/s1
InChIKeyOVDNJGNSUZNOHF-CQSZACIVSA-N
MW349.39 g/mol
LogP1.96
Rot. Bonds3

About (3R)-1-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzoyl]piperidine-3-carboxamide

(3R)-1-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzoyl]piperidine-3-carboxamide (PubChem CID 125442231) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is (3R)-1-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzoyl]piperidine-3-carboxamide
PubChem CID125442231
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name(3R)-1-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzoyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(C(=O)c2cccc(-c3ncnc4[nH]ccc34)c2)C1
InChIInChI=1S/C19H19N5O2/c20-17(25)14-5-2-8-24(10-14)19(26)13-4-1-3-12(9-13)16-15-6-7-21-18(15)23-11-22-16/h1,3-4,6-7,9,11,14H,2,5,8,10H2,(H2,20,25)(H,21,22,23)/t14-/m1/s1
InChIKeyOVDNJGNSUZNOHF-CQSZACIVSA-N
XLogP1.96
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzoyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-3-propoxypiperidin-1-yl]-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methanone
CID 125440514
(3S)-1-[3-(3H-benzimidazol-5-yl)benzoyl]piperidine-3-carboxamide
CID 126448856
(3S)-1-[3-(2-propan-2-ylphenyl)benzoyl]piperidine-3-carboxamide
CID 126442176
1-[3-(7-fluoroquinolin-3-yl)benzoyl]piperidine-3-carboxamide
CID 162628143
(3S)-1-[3-(6-amino-2-methylsulfanylpyrimidin-4-yl)benzoyl]piperidine-3-carboxamide
CID 126432128
(3S)-1-[[2-(aminomethyl)-2-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-1,3-dihydroinden-5-yl]methyl]pyrrolidine-3-carboxamide
CID 126616802
(3S)-1-[3-(azepan-1-ylsulfonyl)benzoyl]piperidine-3-carboxamide
CID 9395607
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
(3S)-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxamide
CID 94457790
4-[3-(1-pyrrolidin-1-ylethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 50980934
(3R)-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
CID 28826297
1-(3,5-dihydroxybenzoyl)piperidine-3-carboxamide
CID 103891600

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzoyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzoyl]piperidine-3-carboxamide (CID 125442231) is (3R)-1-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzoyl]piperidine-3-carboxamide is NC(=O)[C@@H]1CCCN(C(=O)c2cccc(-c3ncnc4[nH]ccc34)c2)C1.
What is the InChIKey of (3R)-1-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzoyl]piperidine-3-carboxamide?
The InChIKey is OVDNJGNSUZNOHF-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N5O2/c20-17(25)14-5-2-8-24(10-14)19(26)13-4-1-3-12(9-13)16-15-6-7-21-18(15)23-11-22-16/h1,3-4,6-7,9,11,14H,2,5,8,10H2,(H2,20,25)(H,21,22,23)/t14-/m1/s1.
What are the key properties of (3R)-1-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzoyl]piperidine-3-carboxamide?
(3R)-1-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzoyl]piperidine-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 125442231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).