1-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile

C19H23N3O3 — CID 37435722

IUPAC1-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
SMILESCOc1ccc(C(=O)N2CCN(C(=O)C3(C#N)CCCC3)CC2)cc1
InChIInChI=1S/C19H23N3O3/c1-25-16-6-4-15(5-7-16)17(23)21-10-12-22(13-11-21)18(24)19(14-20)8-2-3-9-19/h4-7H,2-3,8-13H2,1H3
InChIKeyVJPQWJUFYOWLSS-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.06
Rot. Bonds3

About 1-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile

1-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile (PubChem CID 37435722) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
PubChem CID37435722
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
SMILESCOc1ccc(C(=O)N2CCN(C(=O)C3(C#N)CCCC3)CC2)cc1
InChIInChI=1S/C19H23N3O3/c1-25-16-6-4-15(5-7-16)17(23)21-10-12-22(13-11-21)18(24)19(14-20)8-2-3-9-19/h4-7H,2-3,8-13H2,1H3
InChIKeyVJPQWJUFYOWLSS-UHFFFAOYSA-N
XLogP2.06
TPSA73.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
CID 33168655
1-(4-methoxybenzoyl)cyclobutane-1-carbonitrile
CID 116921475
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetonitrile
CID 28705312
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
(4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152974
[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 120922370
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 38472427
(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467901
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119291542
[4-(4-methoxybenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 1147872

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile (CID 37435722) is 1-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile is COc1ccc(C(=O)N2CCN(C(=O)C3(C#N)CCCC3)CC2)cc1.
What is the InChIKey of 1-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile?
The InChIKey is VJPQWJUFYOWLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-25-16-6-4-15(5-7-16)17(23)21-10-12-22(13-11-21)18(24)19(14-20)8-2-3-9-19/h4-7H,2-3,8-13H2,1H3.
What are the key properties of 1-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile?
1-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile has a molecular weight of 341.41 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 37435722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).