1-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile

C16H18ClN3O — CID 78994262

IUPAC1-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CCC1
InChIInChI=1S/C16H18ClN3O/c17-13-3-1-4-14(11-13)19-7-9-20(10-8-19)15(21)16(12-18)5-2-6-16/h1,3-4,11H,2,5-10H2
InChIKeySDMGRPMTVPKPIP-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.68
Rot. Bonds2

About 1-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile

1-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile (PubChem CID 78994262) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile
PubChem CID78994262
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name1-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CCC1
InChIInChI=1S/C16H18ClN3O/c17-13-3-1-4-14(11-13)19-7-9-20(10-8-19)15(21)16(12-18)5-2-6-16/h1,3-4,11H,2,5-10H2
InChIKeySDMGRPMTVPKPIP-UHFFFAOYSA-N
XLogP2.68
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclobutane-1-carbonitrile
CID 78994794
[1-(3-chlorophenyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 110436800
1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
CID 108978828
1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958404
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941987
[4-(aminomethyl)oxan-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120937747
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
2,2,2-trichloro-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 4196573
4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carbaldehyde
CID 108530906
N-(3-chlorophenyl)-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978188
(1R,4S)-1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-4,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione
CID 98208860
1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile
CID 118199294

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile (CID 78994262) is 1-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile is N#CC1(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CCC1.
What is the InChIKey of 1-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile?
The InChIKey is SDMGRPMTVPKPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c17-13-3-1-4-14(11-13)19-7-9-20(10-8-19)15(21)16(12-18)5-2-6-16/h1,3-4,11H,2,5-10H2.
What are the key properties of 1-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile?
1-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile has a molecular weight of 303.79 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 78994262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).