[2-(1-cyclopentylpiperidin-4-yl)oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone

C22H32N2O3 — CID 42566083

IUPAC[2-(1-cyclopentylpiperidin-4-yl)oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(C(=O)N2CCCC2)c(OC2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C22H32N2O3/c1-26-19-8-9-20(22(25)24-12-4-5-13-24)21(16-19)27-18-10-14-23(15-11-18)17-6-2-3-7-17/h8-9,16-18H,2-7,10-15H2,1H3
InChIKeyZLVHMKRHIWVURN-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.72
Rot. Bonds5

About [2-(1-cyclopentylpiperidin-4-yl)oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone

[2-(1-cyclopentylpiperidin-4-yl)oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone (PubChem CID 42566083) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is [2-(1-cyclopentylpiperidin-4-yl)oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(1-cyclopentylpiperidin-4-yl)oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone
PubChem CID42566083
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name[2-(1-cyclopentylpiperidin-4-yl)oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(C(=O)N2CCCC2)c(OC2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C22H32N2O3/c1-26-19-8-9-20(22(25)24-12-4-5-13-24)21(16-19)27-18-10-14-23(15-11-18)17-6-2-3-7-17/h8-9,16-18H,2-7,10-15H2,1H3
InChIKeyZLVHMKRHIWVURN-UHFFFAOYSA-N
XLogP3.72
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxyphenyl]-(4-methoxypiperidin-1-yl)methanone
CID 26407325
[4-methoxy-2-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 72896336
[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone
CID 42392064
[2-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone
CID 25461351
[4-methoxy-2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 72929364
[4-methoxy-2-[1-(1-phenoxypropan-2-yl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 45229358
[4-methoxy-2-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26409730
2-cyclohexyloxy-4-methoxybenzoic acid
CID 61269041
[4-methoxy-2-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 25281115
[4-methoxy-2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26329530
(2,5-dimethoxyphenyl)-[(3S)-3-pyrrolidin-1-ylazepan-1-yl]methanone
CID 95616152
cyclohexyl-[4-(2,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807026

Frequently Asked Questions

What is the IUPAC name of [2-(1-cyclopentylpiperidin-4-yl)oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(1-cyclopentylpiperidin-4-yl)oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone (CID 42566083) is [2-(1-cyclopentylpiperidin-4-yl)oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(1-cyclopentylpiperidin-4-yl)oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(1-cyclopentylpiperidin-4-yl)oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone is COc1ccc(C(=O)N2CCCC2)c(OC2CCN(C3CCCC3)CC2)c1.
What is the InChIKey of [2-(1-cyclopentylpiperidin-4-yl)oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is ZLVHMKRHIWVURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-26-19-8-9-20(22(25)24-12-4-5-13-24)21(16-19)27-18-10-14-23(15-11-18)17-6-2-3-7-17/h8-9,16-18H,2-7,10-15H2,1H3.
What are the key properties of [2-(1-cyclopentylpiperidin-4-yl)oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone?
[2-(1-cyclopentylpiperidin-4-yl)oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 372.51 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-cyclopentylpiperidin-4-yl)oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 42566083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).