[4-(2-phenylethyl)piperidin-1-yl]-[6-(1H-pyrazol-5-yl)-3-pyridinyl]methanone

C22H24N4O — CID 56917055

IUPAC[4-(2-phenylethyl)piperidin-1-yl]-[6-(1H-pyrazol-5-yl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(-c2ccn[nH]2)nc1)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C22H24N4O/c27-22(19-8-9-20(23-16-19)21-10-13-24-25-21)26-14-11-18(12-15-26)7-6-17-4-2-1-3-5-17/h1-5,8-10,13,16,18H,6-7,11-12,14-15H2,(H,24,25)
InChIKeyPTNAQNANFPINCU-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.96
Rot. Bonds5

About [4-(2-phenylethyl)piperidin-1-yl]-[6-(1H-pyrazol-5-yl)-3-pyridinyl]methanone

[4-(2-phenylethyl)piperidin-1-yl]-[6-(1H-pyrazol-5-yl)-3-pyridinyl]methanone (PubChem CID 56917055) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is [4-(2-phenylethyl)piperidin-1-yl]-[6-(1H-pyrazol-5-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(2-phenylethyl)piperidin-1-yl]-[6-(1H-pyrazol-5-yl)-3-pyridinyl]methanone
PubChem CID56917055
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name[4-(2-phenylethyl)piperidin-1-yl]-[6-(1H-pyrazol-5-yl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(-c2ccn[nH]2)nc1)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C22H24N4O/c27-22(19-8-9-20(23-16-19)21-10-13-24-25-21)26-14-11-18(12-15-26)7-6-17-4-2-1-3-5-17/h1-5,8-10,13,16,18H,6-7,11-12,14-15H2,(H,24,25)
InChIKeyPTNAQNANFPINCU-UHFFFAOYSA-N
XLogP3.96
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(2-phenylethyl)piperidin-1-yl]-[6-(1H-pyrazol-5-yl)-3-pyridinyl]methanone with MolForge

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Related Compounds

[4-(2-phenylethyl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 56917083
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56750257
[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56746243
(4-aminophenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone;hydrochloride
CID 119698759
[6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 95227967
[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56754313
[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 95207332
N,N-dimethyl-2-[[5-[4-(2-phenylethyl)piperidine-1-carbonyl]-2-pyridinyl]amino]acetamide
CID 56749811
phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone
CID 168948503
3-[4-(2-phenylethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 35951602
1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 124994449
2,2-dimethyl-1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124972146

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenylethyl)piperidin-1-yl]-[6-(1H-pyrazol-5-yl)-3-pyridinyl]methanone?
The IUPAC name of [4-(2-phenylethyl)piperidin-1-yl]-[6-(1H-pyrazol-5-yl)-3-pyridinyl]methanone (CID 56917055) is [4-(2-phenylethyl)piperidin-1-yl]-[6-(1H-pyrazol-5-yl)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(2-phenylethyl)piperidin-1-yl]-[6-(1H-pyrazol-5-yl)-3-pyridinyl]methanone?
The canonical SMILES for [4-(2-phenylethyl)piperidin-1-yl]-[6-(1H-pyrazol-5-yl)-3-pyridinyl]methanone is O=C(c1ccc(-c2ccn[nH]2)nc1)N1CCC(CCc2ccccc2)CC1.
What is the InChIKey of [4-(2-phenylethyl)piperidin-1-yl]-[6-(1H-pyrazol-5-yl)-3-pyridinyl]methanone?
The InChIKey is PTNAQNANFPINCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(19-8-9-20(23-16-19)21-10-13-24-25-21)26-14-11-18(12-15-26)7-6-17-4-2-1-3-5-17/h1-5,8-10,13,16,18H,6-7,11-12,14-15H2,(H,24,25).
What are the key properties of [4-(2-phenylethyl)piperidin-1-yl]-[6-(1H-pyrazol-5-yl)-3-pyridinyl]methanone?
[4-(2-phenylethyl)piperidin-1-yl]-[6-(1H-pyrazol-5-yl)-3-pyridinyl]methanone has a molecular weight of 360.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylethyl)piperidin-1-yl]-[6-(1H-pyrazol-5-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 56917055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).