4-[4-(azetidin-3-yl)piperazine-1-carbonyl]benzonitrile

C15H18N4O — CID 66203293

IUPAC4-[4-(azetidin-3-yl)piperazine-1-carbonyl]benzonitrile
SMILESN#Cc1ccc(C(=O)N2CCN(C3CNC3)CC2)cc1
InChIInChI=1S/C15H18N4O/c16-9-12-1-3-13(4-2-12)15(20)19-7-5-18(6-8-19)14-10-17-11-14/h1-4,14,17H,5-8,10-11H2
InChIKeyULRLXBPNPBGQSZ-UHFFFAOYSA-N
MW270.34 g/mol
LogP0.29
Rot. Bonds2

About 4-[4-(azetidin-3-yl)piperazine-1-carbonyl]benzonitrile

4-[4-(azetidin-3-yl)piperazine-1-carbonyl]benzonitrile (PubChem CID 66203293) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-[4-(azetidin-3-yl)piperazine-1-carbonyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(azetidin-3-yl)piperazine-1-carbonyl]benzonitrile
PubChem CID66203293
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-[4-(azetidin-3-yl)piperazine-1-carbonyl]benzonitrile
SMILESN#Cc1ccc(C(=O)N2CCN(C3CNC3)CC2)cc1
InChIInChI=1S/C15H18N4O/c16-9-12-1-3-13(4-2-12)15(20)19-7-5-18(6-8-19)14-10-17-11-14/h1-4,14,17H,5-8,10-11H2
InChIKeyULRLXBPNPBGQSZ-UHFFFAOYSA-N
XLogP0.29
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepane-1-carbonyl)benzonitrile
CID 7964092
4-(piperazine-1-carbonyl)benzonitrile;2,2,2-trifluoroacetic acid
CID 22467982
[4-(azetidin-3-yl)piperazin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 66202136
4-(4-propan-2-ylpiperazine-1-carbonyl)benzonitrile
CID 21025530
[4-(azetidin-3-yl)piperazin-1-yl]-(3,5-dichlorophenyl)methanone
CID 66201748
[4-(azetidin-3-yl)piperazin-1-yl]-(2,6-dihydroxyphenyl)methanone
CID 107690345
4-[1-[4-(azetidin-3-yl)piperazin-1-yl]ethyl]benzonitrile
CID 66203853
[4-(azetidin-3-yl)piperazin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 79693177
3-[4-(4-cyanobenzoyl)piperazin-1-yl]propanoic acid
CID 43522193
2-[1-(4-cyanobenzoyl)piperidin-4-yl]acetic acid
CID 78980423
4-[5-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]indol-1-yl]benzonitrile
CID 66840110
[4-(difluoromethoxy)phenyl]-[4-[(3R)-pyrrolidin-3-yl]piperazin-1-yl]methanone
CID 124757608

Frequently Asked Questions

What is the IUPAC name of 4-[4-(azetidin-3-yl)piperazine-1-carbonyl]benzonitrile?
The IUPAC name of 4-[4-(azetidin-3-yl)piperazine-1-carbonyl]benzonitrile (CID 66203293) is 4-[4-(azetidin-3-yl)piperazine-1-carbonyl]benzonitrile.
What is the SMILES notation for 4-[4-(azetidin-3-yl)piperazine-1-carbonyl]benzonitrile?
The canonical SMILES for 4-[4-(azetidin-3-yl)piperazine-1-carbonyl]benzonitrile is N#Cc1ccc(C(=O)N2CCN(C3CNC3)CC2)cc1.
What is the InChIKey of 4-[4-(azetidin-3-yl)piperazine-1-carbonyl]benzonitrile?
The InChIKey is ULRLXBPNPBGQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-9-12-1-3-13(4-2-12)15(20)19-7-5-18(6-8-19)14-10-17-11-14/h1-4,14,17H,5-8,10-11H2.
What are the key properties of 4-[4-(azetidin-3-yl)piperazine-1-carbonyl]benzonitrile?
4-[4-(azetidin-3-yl)piperazine-1-carbonyl]benzonitrile has a molecular weight of 270.34 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(azetidin-3-yl)piperazine-1-carbonyl]benzonitrile is sourced from PubChem (CID 66203293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).