3-(4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide

C18H26N2O2 — CID 109051247

IUPAC3-(4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C18H26N2O2/c1-13(2)12-19-17(21)15-5-4-6-16(11-15)18(22)20-9-7-14(3)8-10-20/h4-6,11,13-14H,7-10,12H2,1-3H3,(H,19,21)
InChIKeyGNXAPZWCMFSXPB-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.94
Rot. Bonds4

About 3-(4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide

3-(4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide (PubChem CID 109051247) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-(4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-(4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide
PubChem CID109051247
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-(4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C18H26N2O2/c1-13(2)12-19-17(21)15-5-4-6-16(11-15)18(22)20-9-7-14(3)8-10-20/h4-6,11,13-14H,7-10,12H2,1-3H3,(H,19,21)
InChIKeyGNXAPZWCMFSXPB-UHFFFAOYSA-N
XLogP2.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.94
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
3-(4-benzylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide
CID 109051316
3-(4-methylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050285
3-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109050480
3-(4-methylpiperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)benzamide
CID 109052369
N-(3,5-dimethylphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
CID 109052336
[3-(4-ethylpiperazine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 109052272
N-(2-ethylphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
CID 109052339
3-(4-methylpiperidine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 109052346
(4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 8779088
3-(4-methylpiperidine-1-carbonyl)-N,N-dipropylbenzamide
CID 109052323
3-(4-methylpiperidine-1-carbonyl)benzenecarbothioamide
CID 24698917

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-(4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide (CID 109051247) is 3-(4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-(4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-(4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1cccc(C(=O)N2CCC(C)CC2)c1.
What is the InChIKey of 3-(4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide?
The InChIKey is GNXAPZWCMFSXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13(2)12-19-17(21)15-5-4-6-16(11-15)18(22)20-9-7-14(3)8-10-20/h4-6,11,13-14H,7-10,12H2,1-3H3,(H,19,21).
What are the key properties of 3-(4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide?
3-(4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide has a molecular weight of 302.42 g/mol, XLogP of 2.94, 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-(2-methylpropyl)benzamide is sourced from PubChem (CID 109051247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).