[1-(4-methoxyphenyl)cyclopropyl]-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone

C22H26N2O2 — CID 175652422

IUPAC[1-(4-methoxyphenyl)cyclopropyl]-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
SMILESCOc1ccc(C2(C(=O)N3CCCC(Cc4cccnc4)C3)CC2)cc1
InChIInChI=1S/C22H26N2O2/c1-26-20-8-6-19(7-9-20)22(10-11-22)21(25)24-13-3-5-18(16-24)14-17-4-2-12-23-15-17/h2,4,6-9,12,15,18H,3,5,10-11,13-14,16H2,1H3
InChIKeyFNHDXCNEHRAPMY-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.60
Rot. Bonds5

About [1-(4-methoxyphenyl)cyclopropyl]-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone

[1-(4-methoxyphenyl)cyclopropyl]-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone (PubChem CID 175652422) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)cyclopropyl]-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)cyclopropyl]-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
PubChem CID175652422
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name[1-(4-methoxyphenyl)cyclopropyl]-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
SMILESCOc1ccc(C2(C(=O)N3CCCC(Cc4cccnc4)C3)CC2)cc1
InChIInChI=1S/C22H26N2O2/c1-26-20-8-6-19(7-9-20)22(10-11-22)21(25)24-13-3-5-18(16-24)14-17-4-2-12-23-15-17/h2,4,6-9,12,15,18H,3,5,10-11,13-14,16H2,1H3
InChIKeyFNHDXCNEHRAPMY-UHFFFAOYSA-N
XLogP3.60
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-(4-methoxyphenyl)cyclopropyl]-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 125024467
1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70742706
[4-(4-methoxyphenoxy)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 166623335
2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 95841872
(4,4-difluorocyclohexyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 175652412
pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110096200
[(6S)-6-(isoquinolin-7-ylmethyl)-1,4-oxazepan-4-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 125018085
[1-(4-methoxyphenyl)cyclopropyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110106781
2-(4-fluorophenyl)-1-[4-methyl-4-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 124977722
[1-(4-methoxyphenyl)cyclohexyl]-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone
CID 91904137
[1-(4-methoxyphenyl)cyclopropyl]-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 16670493
[1-(4-methoxyphenyl)cyclopropyl]-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 124954939

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)cyclopropyl]-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(4-methoxyphenyl)cyclopropyl]-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone (CID 175652422) is [1-(4-methoxyphenyl)cyclopropyl]-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-methoxyphenyl)cyclopropyl]-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(4-methoxyphenyl)cyclopropyl]-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone is COc1ccc(C2(C(=O)N3CCCC(Cc4cccnc4)C3)CC2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)cyclopropyl]-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is FNHDXCNEHRAPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-26-20-8-6-19(7-9-20)22(10-11-22)21(25)24-13-3-5-18(16-24)14-17-4-2-12-23-15-17/h2,4,6-9,12,15,18H,3,5,10-11,13-14,16H2,1H3.
What are the key properties of [1-(4-methoxyphenyl)cyclopropyl]-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
[1-(4-methoxyphenyl)cyclopropyl]-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 350.46 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)cyclopropyl]-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 175652422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).