3-chloro-4-[(3-piperazin-1-ylazetidin-1-yl)methyl]benzamide

C15H21ClN4O — CID 102669284

IUPAC3-chloro-4-[(3-piperazin-1-ylazetidin-1-yl)methyl]benzamide
SMILESNC(=O)c1ccc(CN2CC(N3CCNCC3)C2)c(Cl)c1
InChIInChI=1S/C15H21ClN4O/c16-14-7-11(15(17)21)1-2-12(14)8-19-9-13(10-19)20-5-3-18-4-6-20/h1-2,7,13,18H,3-6,8-10H2,(H2,17,21)
InChIKeyQFOOCJALBKBCSR-UHFFFAOYSA-N
MW308.81 g/mol
LogP0.53
Rot. Bonds4

About 3-chloro-4-[(3-piperazin-1-ylazetidin-1-yl)methyl]benzamide

3-chloro-4-[(3-piperazin-1-ylazetidin-1-yl)methyl]benzamide (PubChem CID 102669284) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 3-chloro-4-[(3-piperazin-1-ylazetidin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[(3-piperazin-1-ylazetidin-1-yl)methyl]benzamide
PubChem CID102669284
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name3-chloro-4-[(3-piperazin-1-ylazetidin-1-yl)methyl]benzamide
SMILESNC(=O)c1ccc(CN2CC(N3CCNCC3)C2)c(Cl)c1
InChIInChI=1S/C15H21ClN4O/c16-14-7-11(15(17)21)1-2-12(14)8-19-9-13(10-19)20-5-3-18-4-6-20/h1-2,7,13,18H,3-6,8-10H2,(H2,17,21)
InChIKeyQFOOCJALBKBCSR-UHFFFAOYSA-N
XLogP0.53
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-[(3-piperazin-1-ylazetidin-1-yl)methyl]benzamide
CID 66196185
1-[1-[(2-chloro-4-fluorophenyl)methyl]azetidin-3-yl]piperazine
CID 66195617
4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-3-chlorobenzamide
CID 103577160
3-chloro-4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]benzamide
CID 102669720
3-chloro-4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide
CID 102935941
3-chloro-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzoic acid
CID 102669966
3-chloro-4-[(2,6-dimethylpiperazin-1-yl)methyl]benzamide
CID 102669228
4-fluoro-3-(piperazin-1-ylmethyl)benzamide
CID 24701378
1-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]piperazine
CID 66203000
3-chloro-4-(piperidin-4-yloxymethyl)benzamide
CID 102668830
(3-chloro-4-iodophenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 103209579
3-chloro-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 102667918

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(3-piperazin-1-ylazetidin-1-yl)methyl]benzamide?
The IUPAC name of 3-chloro-4-[(3-piperazin-1-ylazetidin-1-yl)methyl]benzamide (CID 102669284) is 3-chloro-4-[(3-piperazin-1-ylazetidin-1-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[(3-piperazin-1-ylazetidin-1-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-4-[(3-piperazin-1-ylazetidin-1-yl)methyl]benzamide is NC(=O)c1ccc(CN2CC(N3CCNCC3)C2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(3-piperazin-1-ylazetidin-1-yl)methyl]benzamide?
The InChIKey is QFOOCJALBKBCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c16-14-7-11(15(17)21)1-2-12(14)8-19-9-13(10-19)20-5-3-18-4-6-20/h1-2,7,13,18H,3-6,8-10H2,(H2,17,21).
What are the key properties of 3-chloro-4-[(3-piperazin-1-ylazetidin-1-yl)methyl]benzamide?
3-chloro-4-[(3-piperazin-1-ylazetidin-1-yl)methyl]benzamide has a molecular weight of 308.81 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(3-piperazin-1-ylazetidin-1-yl)methyl]benzamide is sourced from PubChem (CID 102669284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).