3-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzamide

C17H24N2O2 — CID 109050480

IUPAC3-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzamide
SMILESCC1CCN(C(=O)c2cccc(C(=O)NC(C)C)c2)CC1
InChIInChI=1S/C17H24N2O2/c1-12(2)18-16(20)14-5-4-6-15(11-14)17(21)19-9-7-13(3)8-10-19/h4-6,11-13H,7-10H2,1-3H3,(H,18,20)
InChIKeyAJCBOXOKSHSBDY-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.70
Rot. Bonds3

About 3-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzamide

3-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzamide (PubChem CID 109050480) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzamide
PubChem CID109050480
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzamide
SMILESCC1CCN(C(=O)c2cccc(C(=O)NC(C)C)c2)CC1
InChIInChI=1S/C17H24N2O2/c1-12(2)18-16(20)14-5-4-6-15(11-14)17(21)19-9-7-13(3)8-10-19/h4-6,11-13H,7-10H2,1-3H3,(H,18,20)
InChIKeyAJCBOXOKSHSBDY-UHFFFAOYSA-N
XLogP2.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

3-(4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide
CID 109051247
N-(3-methylbutyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
CID 109052318
3-(4-methylpiperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)benzamide
CID 109052369
4-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109078214
(4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 8779088
3-(4-methylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050285
N-(3,5-dimethylphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
CID 109052336
(4-methylazepan-1-yl)-(3-methylphenyl)methanone
CID 84581250
3-(4-methylpiperidine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 109052346
3-(4-methylpiperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 109052385
3-(4-methylpiperidine-1-carbonyl)benzenecarbothioamide
CID 24698917
N-(3,4-dimethoxyphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
CID 109052372

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzamide?
The IUPAC name of 3-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzamide (CID 109050480) is 3-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzamide is CC1CCN(C(=O)c2cccc(C(=O)NC(C)C)c2)CC1.
What is the InChIKey of 3-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzamide?
The InChIKey is AJCBOXOKSHSBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12(2)18-16(20)14-5-4-6-15(11-14)17(21)19-9-7-13(3)8-10-19/h4-6,11-13H,7-10H2,1-3H3,(H,18,20).
What are the key properties of 3-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzamide?
3-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzamide has a molecular weight of 288.39 g/mol, XLogP of 2.70, 3 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-propan-2-ylbenzamide is sourced from PubChem (CID 109050480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).