3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

C15H21N3O2 — CID 28709214

IUPAC3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESCc1cccc(C(=O)NCCC(=O)N2CCNCC2)c1
InChIInChI=1S/C15H21N3O2/c1-12-3-2-4-13(11-12)15(20)17-6-5-14(19)18-9-7-16-8-10-18/h2-4,11,16H,5-10H2,1H3,(H,17,20)
InChIKeyDJVKYTFQOFKNRZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.55
Rot. Bonds4

About 3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (PubChem CID 28709214) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
PubChem CID28709214
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESCc1cccc(C(=O)NCCC(=O)N2CCNCC2)c1
InChIInChI=1S/C15H21N3O2/c1-12-3-2-4-13(11-12)15(20)17-6-5-14(19)18-9-7-16-8-10-18/h2-4,11,16H,5-10H2,1H3,(H,17,20)
InChIKeyDJVKYTFQOFKNRZ-UHFFFAOYSA-N
XLogP0.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methylbenzamide
CID 17191483
3-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 17018957
N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-3-methylbenzamide
CID 18108357
N-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 28709234
3-methyl-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propyl]benzamide
CID 26870185
N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454797
N-[4-(1,4-diazepan-1-yl)-4-oxobutyl]benzamide
CID 119418551
ethyl (3S)-1-[3-[(3-methylbenzoyl)amino]propanoyl]piperidine-3-carboxylate
CID 30283843
N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-3-carboxamide
CID 119402669
3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708769
3-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 119849558
2-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 28709231

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (CID 28709214) is 3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is Cc1cccc(C(=O)NCCC(=O)N2CCNCC2)c1.
What is the InChIKey of 3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The InChIKey is DJVKYTFQOFKNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12-3-2-4-13(11-12)15(20)17-6-5-14(19)18-9-7-16-8-10-18/h2-4,11,16H,5-10H2,1H3,(H,17,20).
What are the key properties of 3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide has a molecular weight of 275.35 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 28709214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).