[1-(6-chloropyridine-2-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone

C21H21ClN4O2 — CID 122703730

IUPAC[1-(6-chloropyridine-2-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(c1cccc(Cl)n1)N1CCC(C(=O)N2N=CCC2c2ccccc2)CC1
InChIInChI=1S/C21H21ClN4O2/c22-19-8-4-7-17(24-19)21(28)25-13-10-16(11-14-25)20(27)26-18(9-12-23-26)15-5-2-1-3-6-15/h1-8,12,16,18H,9-11,13-14H2
InChIKeyLGIYBVGIGPYOGY-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.55
Rot. Bonds3

About [1-(6-chloropyridine-2-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone

[1-(6-chloropyridine-2-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (PubChem CID 122703730) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is [1-(6-chloropyridine-2-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.

Molecular Properties

Compound Name[1-(6-chloropyridine-2-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
PubChem CID122703730
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name[1-(6-chloropyridine-2-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(c1cccc(Cl)n1)N1CCC(C(=O)N2N=CCC2c2ccccc2)CC1
InChIInChI=1S/C21H21ClN4O2/c22-19-8-4-7-17(24-19)21(28)25-13-10-16(11-14-25)20(27)26-18(9-12-23-26)15-5-2-1-3-6-15/h1-8,12,16,18H,9-11,13-14H2
InChIKeyLGIYBVGIGPYOGY-UHFFFAOYSA-N
XLogP3.55
TPSA65.87 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(pyrimidine-2-carbonyl)piperidin-4-yl]methanone
CID 122703779
[1-(5-fluoropyridine-2-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 122703667
[1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 122703746
[1-[4-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 134521292
(6-chloro-2-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 62234566
[1-(6-methoxypyrazin-2-yl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 134522244
[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 134521427
2-[4-[(3S)-3-phenyl-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 134521790
3-[4-[(3S)-3-phenyl-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 134522012
[6-(2-chlorophenyl)-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
CID 58211293
1-(6-methylpyridine-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 32565194
1-[6-(2-chlorophenyl)pyridine-2-carbonyl]piperidine-4-carboxamide
CID 58211023

Frequently Asked Questions

What is the IUPAC name of [1-(6-chloropyridine-2-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The IUPAC name of [1-(6-chloropyridine-2-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (CID 122703730) is [1-(6-chloropyridine-2-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.
What is the SMILES notation for [1-(6-chloropyridine-2-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The canonical SMILES for [1-(6-chloropyridine-2-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is O=C(c1cccc(Cl)n1)N1CCC(C(=O)N2N=CCC2c2ccccc2)CC1.
What is the InChIKey of [1-(6-chloropyridine-2-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The InChIKey is LGIYBVGIGPYOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c22-19-8-4-7-17(24-19)21(28)25-13-10-16(11-14-25)20(27)26-18(9-12-23-26)15-5-2-1-3-6-15/h1-8,12,16,18H,9-11,13-14H2.
What are the key properties of [1-(6-chloropyridine-2-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
[1-(6-chloropyridine-2-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone has a molecular weight of 396.88 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloropyridine-2-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is sourced from PubChem (CID 122703730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).