3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide

C17H24ClN3O2 — CID 50779613

IUPAC3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide
SMILESCCCN(CCC(=O)N1CCNCC1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H24ClN3O2/c1-2-9-21(17(23)14-4-3-5-15(18)13-14)10-6-16(22)20-11-7-19-8-12-20/h3-5,13,19H,2,6-12H2,1H3
InChIKeyHWHGMSIYVYFGOU-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.01
Rot. Bonds6

About 3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide

3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide (PubChem CID 50779613) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide
PubChem CID50779613
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide
SMILESCCCN(CCC(=O)N1CCNCC1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H24ClN3O2/c1-2-9-21(17(23)14-4-3-5-15(18)13-14)10-6-16(22)20-11-7-19-8-12-20/h3-5,13,19H,2,6-12H2,1H3
InChIKeyHWHGMSIYVYFGOU-UHFFFAOYSA-N
XLogP2.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide
CID 93057910
3-chloro-N,N-dipropylbenzamide
CID 669182
3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide
CID 50779630
N-[(3-chlorophenyl)methyl]-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779674
3-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779658
3-acetamido-N-(3-oxo-3-piperazin-1-ylpropyl)-N-pentylbenzamide
CID 50779389
3-acetamido-N-[2-(diethylamino)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779385
3-fluoro-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779795
3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 50779419
4-butoxy-N-[(3-chlorophenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146057598
3-chloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265586
3-bromo-N-[(3-methylphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779708

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide?
The IUPAC name of 3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide (CID 50779613) is 3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide.
What is the SMILES notation for 3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide?
The canonical SMILES for 3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide is CCCN(CCC(=O)N1CCNCC1)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide?
The InChIKey is HWHGMSIYVYFGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-2-9-21(17(23)14-4-3-5-15(18)13-14)10-6-16(22)20-11-7-19-8-12-20/h3-5,13,19H,2,6-12H2,1H3.
What are the key properties of 3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide?
3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide has a molecular weight of 337.85 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide is sourced from PubChem (CID 50779613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).