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

C17H24N2O2 — CID 109050285

IUPAC3-(4-methylpiperidine-1-carbonyl)-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C17H24N2O2/c1-3-9-18-16(20)14-5-4-6-15(12-14)17(21)19-10-7-13(2)8-11-19/h4-6,12-13H,3,7-11H2,1-2H3,(H,18,20)
InChIKeySHWWVOXQOWBEFN-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.70
Rot. Bonds4

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

3-(4-methylpiperidine-1-carbonyl)-N-propylbenzamide (PubChem CID 109050285) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-(4-methylpiperidine-1-carbonyl)-N-propylbenzamide.

Molecular Properties

Compound Name3-(4-methylpiperidine-1-carbonyl)-N-propylbenzamide
PubChem CID109050285
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-(4-methylpiperidine-1-carbonyl)-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C17H24N2O2/c1-3-9-18-16(20)14-5-4-6-15(12-14)17(21)19-10-7-13(2)8-11-19/h4-6,12-13H,3,7-11H2,1-2H3,(H,18,20)
InChIKeySHWWVOXQOWBEFN-UHFFFAOYSA-N
XLogP2.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylbutyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
CID 109052318
2-[1-[3-(propylcarbamoyl)benzoyl]piperidin-4-yl]acetic acid
CID 119177928
3-(4-acetylpiperazine-1-carbonyl)-N-propylbenzamide
CID 109050297
3-(4-methylpiperazine-1-carbonyl)-N-propylbenzamide
CID 109050294
3-(4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide
CID 109051247
3-(morpholine-4-carbonyl)-N-propylbenzamide
CID 109050289
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-propylbenzamide;hydrochloride
CID 119483619
3-(3-aminopiperidine-1-carbonyl)-N-propylbenzamide
CID 119377560
3-(4-methylpiperidine-1-carbonyl)-N,N-dipropylbenzamide
CID 109052323
3-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109050480
3-N-[4-(4-methylpiperidin-1-yl)phenyl]-1-N-propylbenzene-1,3-dicarboxamide
CID 109050431
3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propylbenzamide
CID 120996709

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidine-1-carbonyl)-N-propylbenzamide?
The IUPAC name of 3-(4-methylpiperidine-1-carbonyl)-N-propylbenzamide (CID 109050285) is 3-(4-methylpiperidine-1-carbonyl)-N-propylbenzamide.
What is the SMILES notation for 3-(4-methylpiperidine-1-carbonyl)-N-propylbenzamide?
The canonical SMILES for 3-(4-methylpiperidine-1-carbonyl)-N-propylbenzamide is CCCNC(=O)c1cccc(C(=O)N2CCC(C)CC2)c1.
What is the InChIKey of 3-(4-methylpiperidine-1-carbonyl)-N-propylbenzamide?
The InChIKey is SHWWVOXQOWBEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-9-18-16(20)14-5-4-6-15(12-14)17(21)19-10-7-13(2)8-11-19/h4-6,12-13H,3,7-11H2,1-2H3,(H,18,20).
What are the key properties of 3-(4-methylpiperidine-1-carbonyl)-N-propylbenzamide?
3-(4-methylpiperidine-1-carbonyl)-N-propylbenzamide has a molecular weight of 288.39 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidine-1-carbonyl)-N-propylbenzamide is sourced from PubChem (CID 109050285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).