(3R)-N-(3-acetylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide

C23H23N5O3 — CID 92875196

IUPAC(3R)-N-(3-acetylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccccn4)n[nH]3)C2)c1
InChIInChI=1S/C23H23N5O3/c1-15(29)16-6-4-8-18(12-16)25-22(30)17-7-5-11-28(14-17)23(31)21-13-20(26-27-21)19-9-2-3-10-24-19/h2-4,6,8-10,12-13,17H,5,7,11,14H2,1H3,(H,25,30)(H,26,27)/t17-/m1/s1
InChIKeyAANYTODQGDIYHH-QGZVFWFLSA-N
MW417.47 g/mol
LogP3.17
Rot. Bonds5

About (3R)-N-(3-acetylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide

(3R)-N-(3-acetylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide (PubChem CID 92875196) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is (3R)-N-(3-acetylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-acetylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
PubChem CID92875196
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name(3R)-N-(3-acetylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccccn4)n[nH]3)C2)c1
InChIInChI=1S/C23H23N5O3/c1-15(29)16-6-4-8-18(12-16)25-22(30)17-7-5-11-28(14-17)23(31)21-13-20(26-27-21)19-9-2-3-10-24-19/h2-4,6,8-10,12-13,17H,5,7,11,14H2,1H3,(H,25,30)(H,26,27)/t17-/m1/s1
InChIKeyAANYTODQGDIYHH-QGZVFWFLSA-N
XLogP3.17
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(4-ethylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892685
(3R)-N-propan-2-yl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892697
(3S)-N-cyclopropyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892702
(3S)-N-propyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92751845
(3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892680
N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 50799939
(3R)-N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 97044702
N-[(4-methylphenyl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 50799692
(3S)-N-[(4-bromophenyl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892742
N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 46352054
N-(3-acetylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42895769
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 50799718

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-acetylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-acetylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide (CID 92875196) is (3R)-N-(3-acetylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-acetylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-acetylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide is CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccccn4)n[nH]3)C2)c1.
What is the InChIKey of (3R)-N-(3-acetylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The InChIKey is AANYTODQGDIYHH-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-15(29)16-6-4-8-18(12-16)25-22(30)17-7-5-11-28(14-17)23(31)21-13-20(26-27-21)19-9-2-3-10-24-19/h2-4,6,8-10,12-13,17H,5,7,11,14H2,1H3,(H,25,30)(H,26,27)/t17-/m1/s1.
What are the key properties of (3R)-N-(3-acetylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
(3R)-N-(3-acetylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-acetylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 92875196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).