(3R)-1-acetyl-N-(3-chloro-2-pyrazol-1-ylphenyl)piperidine-3-carboxamide

C17H19ClN4O2 — CID 129402912

IUPAC(3R)-1-acetyl-N-(3-chloro-2-pyrazol-1-ylphenyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@@H](C(=O)Nc2cccc(Cl)c2-n2cccn2)C1
InChIInChI=1S/C17H19ClN4O2/c1-12(23)21-9-3-5-13(11-21)17(24)20-15-7-2-6-14(18)16(15)22-10-4-8-19-22/h2,4,6-8,10,13H,3,5,9,11H2,1H3,(H,20,24)/t13-/m1/s1
InChIKeySAPADZNBIZLUOB-CYBMUJFWSA-N
MW346.82 g/mol
LogP2.72
Rot. Bonds3

About (3R)-1-acetyl-N-(3-chloro-2-pyrazol-1-ylphenyl)piperidine-3-carboxamide

(3R)-1-acetyl-N-(3-chloro-2-pyrazol-1-ylphenyl)piperidine-3-carboxamide (PubChem CID 129402912) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is (3R)-1-acetyl-N-(3-chloro-2-pyrazol-1-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-acetyl-N-(3-chloro-2-pyrazol-1-ylphenyl)piperidine-3-carboxamide
PubChem CID129402912
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name(3R)-1-acetyl-N-(3-chloro-2-pyrazol-1-ylphenyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@@H](C(=O)Nc2cccc(Cl)c2-n2cccn2)C1
InChIInChI=1S/C17H19ClN4O2/c1-12(23)21-9-3-5-13(11-21)17(24)20-15-7-2-6-14(18)16(15)22-10-4-8-19-22/h2,4,6-8,10,13H,3,5,9,11H2,1H3,(H,20,24)/t13-/m1/s1
InChIKeySAPADZNBIZLUOB-CYBMUJFWSA-N
XLogP2.72
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide
CID 47251954
N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-2-carboxamide
CID 87007046
N'-(3-chloro-2-pyrazol-1-ylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)oxamide
CID 87039522
1-acetyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide
CID 110686139
1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(2-hydroxypentyl)urea
CID 111473882
N-(3-chloro-2-pyrazol-1-ylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 51118900
1-acetyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 47118469
(3R)-N-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857586
5-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methylpentanamide
CID 104684217
N-(3-chloro-2-pyrazol-1-ylphenyl)thiomorpholine-3-carboxamide
CID 82896732
(3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 9068498
N-(3-chloro-2-pyrazol-1-ylphenyl)prop-2-enamide
CID 54867440

Frequently Asked Questions

What is the IUPAC name of (3R)-1-acetyl-N-(3-chloro-2-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-acetyl-N-(3-chloro-2-pyrazol-1-ylphenyl)piperidine-3-carboxamide (CID 129402912) is (3R)-1-acetyl-N-(3-chloro-2-pyrazol-1-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-acetyl-N-(3-chloro-2-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-acetyl-N-(3-chloro-2-pyrazol-1-ylphenyl)piperidine-3-carboxamide is CC(=O)N1CCC[C@@H](C(=O)Nc2cccc(Cl)c2-n2cccn2)C1.
What is the InChIKey of (3R)-1-acetyl-N-(3-chloro-2-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The InChIKey is SAPADZNBIZLUOB-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-12(23)21-9-3-5-13(11-21)17(24)20-15-7-2-6-14(18)16(15)22-10-4-8-19-22/h2,4,6-8,10,13H,3,5,9,11H2,1H3,(H,20,24)/t13-/m1/s1.
What are the key properties of (3R)-1-acetyl-N-(3-chloro-2-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
(3R)-1-acetyl-N-(3-chloro-2-pyrazol-1-ylphenyl)piperidine-3-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-acetyl-N-(3-chloro-2-pyrazol-1-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 129402912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).