(3S)-3-(4-acetamido-1H-pyrazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide

C20H27N5O2 — CID 97343503

IUPAC(3S)-3-(4-acetamido-1H-pyrazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide
SMILESCC(=O)Nc1cn[nH]c1[C@H]1CCCN(C(=O)Nc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C20H27N5O2/c1-13(2)15-6-8-17(9-7-15)23-20(27)25-10-4-5-16(12-25)19-18(11-21-24-19)22-14(3)26/h6-9,11,13,16H,4-5,10,12H2,1-3H3,(H,21,24)(H,22,26)(H,23,27)/t16-/m0/s1
InChIKeySNRBTRLZQJSAQE-INIZCTEOSA-N
MW369.47 g/mol
LogP3.90
Rot. Bonds4

About (3S)-3-(4-acetamido-1H-pyrazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide

(3S)-3-(4-acetamido-1H-pyrazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide (PubChem CID 97343503) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is (3S)-3-(4-acetamido-1H-pyrazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(4-acetamido-1H-pyrazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide
PubChem CID97343503
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name(3S)-3-(4-acetamido-1H-pyrazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide
SMILESCC(=O)Nc1cn[nH]c1[C@H]1CCCN(C(=O)Nc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C20H27N5O2/c1-13(2)15-6-8-17(9-7-15)23-20(27)25-10-4-5-16(12-25)19-18(11-21-24-19)22-14(3)26/h6-9,11,13,16H,4-5,10,12H2,1-3H3,(H,21,24)(H,22,26)(H,23,27)/t16-/m0/s1
InChIKeySNRBTRLZQJSAQE-INIZCTEOSA-N
XLogP3.90
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[4-[(2-methoxyacetyl)amino]-1H-pyrazol-5-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide
CID 97343505
(3R)-N-(4-tert-butylsulfanylphenyl)-3-(4-carbamoyl-1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 129324030
N-[5-[1-(1-phenylcyclobutanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 75473787
N-(4-fluorophenyl)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 110214013
N-[5-[1-(6-methoxypyridine-3-carbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 146088376
N-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 97344338
(3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 111430995
N-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-4-yl]benzamide
CID 146088409
N-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 75473820
N-[5-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343253
ethyl 1-[(4-propan-2-ylphenyl)carbamoyl]piperidine-3-carboxylate
CID 42695560
N-[5-[(3S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 97344362

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-acetamido-1H-pyrazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(4-acetamido-1H-pyrazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide (CID 97343503) is (3S)-3-(4-acetamido-1H-pyrazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(4-acetamido-1H-pyrazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(4-acetamido-1H-pyrazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide is CC(=O)Nc1cn[nH]c1[C@H]1CCCN(C(=O)Nc2ccc(C(C)C)cc2)C1.
What is the InChIKey of (3S)-3-(4-acetamido-1H-pyrazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide?
The InChIKey is SNRBTRLZQJSAQE-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-13(2)15-6-8-17(9-7-15)23-20(27)25-10-4-5-16(12-25)19-18(11-21-24-19)22-14(3)26/h6-9,11,13,16H,4-5,10,12H2,1-3H3,(H,21,24)(H,22,26)(H,23,27)/t16-/m0/s1.
What are the key properties of (3S)-3-(4-acetamido-1H-pyrazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide?
(3S)-3-(4-acetamido-1H-pyrazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-acetamido-1H-pyrazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 97343503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).