2-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

C14H18ClN3O2 — CID 28709231

IUPAC2-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESO=C(NCCC(=O)N1CCNCC1)c1ccccc1Cl
InChIInChI=1S/C14H18ClN3O2/c15-12-4-2-1-3-11(12)14(20)17-6-5-13(19)18-9-7-16-8-10-18/h1-4,16H,5-10H2,(H,17,20)
InChIKeyDEAHMOBBSLWZGV-UHFFFAOYSA-N
MW295.77 g/mol
LogP0.89
Rot. Bonds4

About 2-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

2-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (PubChem CID 28709231) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
PubChem CID28709231
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name2-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESO=C(NCCC(=O)N1CCNCC1)c1ccccc1Cl
InChIInChI=1S/C14H18ClN3O2/c15-12-4-2-1-3-11(12)14(20)17-6-5-13(19)18-9-7-16-8-10-18/h1-4,16H,5-10H2,(H,17,20)
InChIKeyDEAHMOBBSLWZGV-UHFFFAOYSA-N
XLogP0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708781
2,3-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157050
N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-2-chlorobenzamide
CID 7964636
2-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide
CID 18135466
2-chloro-N-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzamide
CID 18129615
2-chloro-N-[3-oxo-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propyl]benzamide
CID 9109853
2-chloro-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]benzamide
CID 9180673
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 8868826
2-chloro-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzamide
CID 2430048
3,4-dichloro-2-hydroxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 56782028
2-chloro-N-[3-oxo-3-(piperidin-1-ylamino)propyl]benzamide
CID 9271208
2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708758

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 2-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (CID 28709231) is 2-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 2-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 2-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is O=C(NCCC(=O)N1CCNCC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The InChIKey is DEAHMOBBSLWZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c15-12-4-2-1-3-11(12)14(20)17-6-5-13(19)18-9-7-16-8-10-18/h1-4,16H,5-10H2,(H,17,20).
What are the key properties of 2-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
2-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide has a molecular weight of 295.77 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 28709231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).