3-[4-(4-methoxybenzoyl)piperazin-1-yl]cyclopentane-1-carbonitrile

C18H23N3O2 — CID 136537706

IUPAC3-[4-(4-methoxybenzoyl)piperazin-1-yl]cyclopentane-1-carbonitrile
SMILESCOc1ccc(C(=O)N2CCN(C3CCC(C#N)C3)CC2)cc1
InChIInChI=1S/C18H23N3O2/c1-23-17-6-3-15(4-7-17)18(22)21-10-8-20(9-11-21)16-5-2-14(12-16)13-19/h3-4,6-7,14,16H,2,5,8-12H2,1H3
InChIKeyNQCKOTMWCGPDRD-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.15
Rot. Bonds3

About 3-[4-(4-methoxybenzoyl)piperazin-1-yl]cyclopentane-1-carbonitrile

3-[4-(4-methoxybenzoyl)piperazin-1-yl]cyclopentane-1-carbonitrile (PubChem CID 136537706) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-[4-(4-methoxybenzoyl)piperazin-1-yl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-[4-(4-methoxybenzoyl)piperazin-1-yl]cyclopentane-1-carbonitrile
PubChem CID136537706
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-[4-(4-methoxybenzoyl)piperazin-1-yl]cyclopentane-1-carbonitrile
SMILESCOc1ccc(C(=O)N2CCN(C3CCC(C#N)C3)CC2)cc1
InChIInChI=1S/C18H23N3O2/c1-23-17-6-3-15(4-7-17)18(22)21-10-8-20(9-11-21)16-5-2-14(12-16)13-19/h3-4,6-7,14,16H,2,5,8-12H2,1H3
InChIKeyNQCKOTMWCGPDRD-UHFFFAOYSA-N
XLogP2.15
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one
CID 91925833
(4-methoxyphenyl)-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-1-yl]methanone
CID 764819
2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetonitrile
CID 28705312
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 119276704
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
(4-methoxyphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 2910930
[4-(4-methoxybenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 1147872
1-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
CID 37435722
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
(4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152974

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxybenzoyl)piperazin-1-yl]cyclopentane-1-carbonitrile?
The IUPAC name of 3-[4-(4-methoxybenzoyl)piperazin-1-yl]cyclopentane-1-carbonitrile (CID 136537706) is 3-[4-(4-methoxybenzoyl)piperazin-1-yl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-[4-(4-methoxybenzoyl)piperazin-1-yl]cyclopentane-1-carbonitrile?
The canonical SMILES for 3-[4-(4-methoxybenzoyl)piperazin-1-yl]cyclopentane-1-carbonitrile is COc1ccc(C(=O)N2CCN(C3CCC(C#N)C3)CC2)cc1.
What is the InChIKey of 3-[4-(4-methoxybenzoyl)piperazin-1-yl]cyclopentane-1-carbonitrile?
The InChIKey is NQCKOTMWCGPDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-23-17-6-3-15(4-7-17)18(22)21-10-8-20(9-11-21)16-5-2-14(12-16)13-19/h3-4,6-7,14,16H,2,5,8-12H2,1H3.
What are the key properties of 3-[4-(4-methoxybenzoyl)piperazin-1-yl]cyclopentane-1-carbonitrile?
3-[4-(4-methoxybenzoyl)piperazin-1-yl]cyclopentane-1-carbonitrile has a molecular weight of 313.40 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxybenzoyl)piperazin-1-yl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 136537706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).