[1-(4-methoxyphenyl)cyclopentyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C21H27N3O2 — CID 56701547

IUPAC[1-(4-methoxyphenyl)cyclopentyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C2(C(=O)N3CCCC(c4ccn[nH]4)C3)CCCC2)cc1
InChIInChI=1S/C21H27N3O2/c1-26-18-8-6-17(7-9-18)21(11-2-3-12-21)20(25)24-14-4-5-16(15-24)19-10-13-22-23-19/h6-10,13,16H,2-5,11-12,14-15H2,1H3,(H,22,23)
InChIKeyNMFOMOPYZRDOBY-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.64
Rot. Bonds4

About [1-(4-methoxyphenyl)cyclopentyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

[1-(4-methoxyphenyl)cyclopentyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 56701547) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)cyclopentyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)cyclopentyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID56701547
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name[1-(4-methoxyphenyl)cyclopentyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C2(C(=O)N3CCCC(c4ccn[nH]4)C3)CCCC2)cc1
InChIInChI=1S/C21H27N3O2/c1-26-18-8-6-17(7-9-18)21(11-2-3-12-21)20(25)24-14-4-5-16(15-24)19-10-13-22-23-19/h6-10,13,16H,2-5,11-12,14-15H2,1H3,(H,22,23)
InChIKeyNMFOMOPYZRDOBY-UHFFFAOYSA-N
XLogP3.64
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-methoxyphenyl)cyclopropyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110106781
[1-(4-chlorophenyl)cyclopentyl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121147027
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 56914468
1-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]cyclopentane-1-carbonitrile
CID 95768398
(3S)-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 97268219
N-(2,6-dimethoxy-3-pyridinyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 118763053
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 125003153
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
(3-fluoro-2-methoxyphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56757178
[1-(4-methoxyphenyl)cyclopropyl]-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 175652422
[1-(4-methoxyphenyl)cyclopropyl]-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 16670493

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)cyclopentyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-(4-methoxyphenyl)cyclopentyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 56701547) is [1-(4-methoxyphenyl)cyclopentyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-methoxyphenyl)cyclopentyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(4-methoxyphenyl)cyclopentyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is COc1ccc(C2(C(=O)N3CCCC(c4ccn[nH]4)C3)CCCC2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)cyclopentyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is NMFOMOPYZRDOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-26-18-8-6-17(7-9-18)21(11-2-3-12-21)20(25)24-14-4-5-16(15-24)19-10-13-22-23-19/h6-10,13,16H,2-5,11-12,14-15H2,1H3,(H,22,23).
What are the key properties of [1-(4-methoxyphenyl)cyclopentyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
[1-(4-methoxyphenyl)cyclopentyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 353.47 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)cyclopentyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56701547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).