4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzamide

C15H20ClN3O2 — CID 119580374

IUPAC4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzamide
SMILESCC1CN(C(=O)C(C)NC(=O)c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C15H20ClN3O2/c1-10-9-19(8-7-17-10)15(21)11(2)18-14(20)12-3-5-13(16)6-4-12/h3-6,10-11,17H,7-9H2,1-2H3,(H,18,20)
InChIKeyZGVNUUFCOJZHKL-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.28
Rot. Bonds3

About 4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzamide

4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzamide (PubChem CID 119580374) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzamide
PubChem CID119580374
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzamide
SMILESCC1CN(C(=O)C(C)NC(=O)c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C15H20ClN3O2/c1-10-9-19(8-7-17-10)15(21)11(2)18-14(20)12-3-5-13(16)6-4-12/h3-6,10-11,17H,7-9H2,1-2H3,(H,18,20)
InChIKeyZGVNUUFCOJZHKL-UHFFFAOYSA-N
XLogP1.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide;hydrochloride
CID 119418273
4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
CID 119578681
4-chloro-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride
CID 119493230
1-[2-[(4-chlorobenzoyl)amino]propanoyl]piperidine-4-carboxylic acid
CID 119349897
4-chloro-N-[1-[4-(2-methylpropyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 112765552
4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 112760576
4-chloro-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 119647961
4-chloro-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 119576131
N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 119576791
4-chloro-N-[(2S)-1-(3,5-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 43002401
(3-chloro-4-fluorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 82875734
1-[2-[(4-chlorobenzoyl)amino]propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122114461

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzamide (CID 119580374) is 4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzamide is CC1CN(C(=O)C(C)NC(=O)c2ccc(Cl)cc2)CCN1.
What is the InChIKey of 4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzamide?
The InChIKey is ZGVNUUFCOJZHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-10-9-19(8-7-17-10)15(21)11(2)18-14(20)12-3-5-13(16)6-4-12/h3-6,10-11,17H,7-9H2,1-2H3,(H,18,20).
What are the key properties of 4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzamide?
4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzamide has a molecular weight of 309.80 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 119580374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).