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

C20H25N3O2 — CID 33168655

IUPAC1-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
SMILESCCc1ccc(C(=O)N2CCN(C(=O)C3(C#N)CCCC3)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-2-16-5-7-17(8-6-16)18(24)22-11-13-23(14-12-22)19(25)20(15-21)9-3-4-10-20/h5-8H,2-4,9-14H2,1H3
InChIKeyKCVZVHKQVXZRLB-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.62
Rot. Bonds3

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

1-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile (PubChem CID 33168655) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
PubChem CID33168655
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
SMILESCCc1ccc(C(=O)N2CCN(C(=O)C3(C#N)CCCC3)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-2-16-5-7-17(8-6-16)18(24)22-11-13-23(14-12-22)19(25)20(15-21)9-3-4-10-20/h5-8H,2-4,9-14H2,1H3
InChIKeyKCVZVHKQVXZRLB-UHFFFAOYSA-N
XLogP2.62
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
CID 37435722
2-[4-(4-ethylbenzoyl)piperazin-1-yl]propanenitrile
CID 63337287
1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile
CID 118199294
1-cyano-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
CID 31816749
4-[[4-(4-ethylbenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile
CID 51331648
2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone
CID 119292854
[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32770513
1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile
CID 51073773
cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 84546397
4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzonitrile
CID 32772147
(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone
CID 146084360
[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-(4-ethylphenyl)methanone
CID 155877979

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile (CID 33168655) is 1-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile is CCc1ccc(C(=O)N2CCN(C(=O)C3(C#N)CCCC3)CC2)cc1.
What is the InChIKey of 1-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile?
The InChIKey is KCVZVHKQVXZRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-16-5-7-17(8-6-16)18(24)22-11-13-23(14-12-22)19(25)20(15-21)9-3-4-10-20/h5-8H,2-4,9-14H2,1H3.
What are the key properties of 1-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile?
1-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile has a molecular weight of 339.44 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 33168655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).