1-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide

C18H27N3O2 — CID 132650704

IUPAC1-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)C1CCCN(C)C1
InChIInChI=1S/C18H27N3O2/c1-13(2)11-19-18(23)15-8-4-5-9-16(15)20-17(22)14-7-6-10-21(3)12-14/h4-5,8-9,13-14H,6-7,10-12H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyXQPCIEQZZPTQHS-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.35
Rot. Bonds5

About 1-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide

1-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 132650704) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide
PubChem CID132650704
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)C1CCCN(C)C1
InChIInChI=1S/C18H27N3O2/c1-13(2)11-19-18(23)15-8-4-5-9-16(15)20-17(22)14-7-6-10-21(3)12-14/h4-5,8-9,13-14H,6-7,10-12H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyXQPCIEQZZPTQHS-UHFFFAOYSA-N
XLogP2.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(butylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide
CID 132650711
(3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide
CID 99970188
3-N-[2-(2-aminoethylcarbamoyl)phenyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 120603479
1-(dimethylsulfamoyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132984866
(3R)-1-methyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide
CID 99970141
2-[(3-aminocyclohexanecarbonyl)amino]-N-(2-methylpropyl)benzamide
CID 119684630
(3S)-1-methyl-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 125043020
ethyl 4-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 34729529
2-(cyclohex-3-ene-1-carbonylamino)-N-(2-methylpropyl)benzamide
CID 51230497
N-[2-(2-methylpropylcarbamoyl)phenyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 34727869
N-[2-(2-methylpropylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46451207
N-[2-(2-methylpropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 37003937

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide (CID 132650704) is 1-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide is CC(C)CNC(=O)c1ccccc1NC(=O)C1CCCN(C)C1.
What is the InChIKey of 1-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is XQPCIEQZZPTQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13(2)11-19-18(23)15-8-4-5-9-16(15)20-17(22)14-7-6-10-21(3)12-14/h4-5,8-9,13-14H,6-7,10-12H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of 1-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide?
1-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 132650704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).