3-(4-methylpiperazine-1-carbonyl)-N-propylbenzamide

C16H23N3O2 — CID 109050294

IUPAC3-(4-methylpiperazine-1-carbonyl)-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C16H23N3O2/c1-3-7-17-15(20)13-5-4-6-14(12-13)16(21)19-10-8-18(2)9-11-19/h4-6,12H,3,7-11H2,1-2H3,(H,17,20)
InChIKeyKHXRWNKJCVSSDA-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.21
Rot. Bonds4

About 3-(4-methylpiperazine-1-carbonyl)-N-propylbenzamide

3-(4-methylpiperazine-1-carbonyl)-N-propylbenzamide (PubChem CID 109050294) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(4-methylpiperazine-1-carbonyl)-N-propylbenzamide.

Molecular Properties

Compound Name3-(4-methylpiperazine-1-carbonyl)-N-propylbenzamide
PubChem CID109050294
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-(4-methylpiperazine-1-carbonyl)-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C16H23N3O2/c1-3-7-17-15(20)13-5-4-6-14(12-13)16(21)19-10-8-18(2)9-11-19/h4-6,12H,3,7-11H2,1-2H3,(H,17,20)
InChIKeyKHXRWNKJCVSSDA-UHFFFAOYSA-N
XLogP1.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-acetylpiperazine-1-carbonyl)-N-propylbenzamide
CID 109050297
N-(3-methylbutyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053540
3-(morpholine-4-carbonyl)-N-propylbenzamide
CID 109050289
3-(4-methylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050285
2-[1-[3-(propylcarbamoyl)benzoyl]piperidin-4-yl]acetic acid
CID 119177928
N-(furan-2-ylmethyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053497
3-(3-aminopiperidine-1-carbonyl)-N-propylbenzamide
CID 119377560
(4-methylpiperazin-1-yl)-(3-propylphenyl)methanone
CID 70962080
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-propylbenzamide;hydrochloride
CID 119483619
N-(2,6-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053559
3-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 119849558
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-pentylbenzamide
CID 109055330

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazine-1-carbonyl)-N-propylbenzamide?
The IUPAC name of 3-(4-methylpiperazine-1-carbonyl)-N-propylbenzamide (CID 109050294) is 3-(4-methylpiperazine-1-carbonyl)-N-propylbenzamide.
What is the SMILES notation for 3-(4-methylpiperazine-1-carbonyl)-N-propylbenzamide?
The canonical SMILES for 3-(4-methylpiperazine-1-carbonyl)-N-propylbenzamide is CCCNC(=O)c1cccc(C(=O)N2CCN(C)CC2)c1.
What is the InChIKey of 3-(4-methylpiperazine-1-carbonyl)-N-propylbenzamide?
The InChIKey is KHXRWNKJCVSSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-7-17-15(20)13-5-4-6-14(12-13)16(21)19-10-8-18(2)9-11-19/h4-6,12H,3,7-11H2,1-2H3,(H,17,20).
What are the key properties of 3-(4-methylpiperazine-1-carbonyl)-N-propylbenzamide?
3-(4-methylpiperazine-1-carbonyl)-N-propylbenzamide has a molecular weight of 289.38 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazine-1-carbonyl)-N-propylbenzamide is sourced from PubChem (CID 109050294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).