N-[(1S)-1-(2,4-dimethylphenyl)propyl]-1-methylpiperidine-4-carboxamide

C18H28N2O — CID 99970775

IUPACN-[(1S)-1-(2,4-dimethylphenyl)propyl]-1-methylpiperidine-4-carboxamide
SMILESCC[C@H](NC(=O)C1CCN(C)CC1)c1ccc(C)cc1C
InChIInChI=1S/C18H28N2O/c1-5-17(16-7-6-13(2)12-14(16)3)19-18(21)15-8-10-20(4)11-9-15/h6-7,12,15,17H,5,8-11H2,1-4H3,(H,19,21)/t17-/m0/s1
InChIKeyQCRPGVLMNQBKRY-KRWDZBQOSA-N
MW288.44 g/mol
LogP3.21
Rot. Bonds4

About N-[(1S)-1-(2,4-dimethylphenyl)propyl]-1-methylpiperidine-4-carboxamide

N-[(1S)-1-(2,4-dimethylphenyl)propyl]-1-methylpiperidine-4-carboxamide (PubChem CID 99970775) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-dimethylphenyl)propyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-dimethylphenyl)propyl]-1-methylpiperidine-4-carboxamide
PubChem CID99970775
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[(1S)-1-(2,4-dimethylphenyl)propyl]-1-methylpiperidine-4-carboxamide
SMILESCC[C@H](NC(=O)C1CCN(C)CC1)c1ccc(C)cc1C
InChIInChI=1S/C18H28N2O/c1-5-17(16-7-6-13(2)12-14(16)3)19-18(21)15-8-10-20(4)11-9-15/h6-7,12,15,17H,5,8-11H2,1-4H3,(H,19,21)/t17-/m0/s1
InChIKeyQCRPGVLMNQBKRY-KRWDZBQOSA-N
XLogP3.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 94014092
N-[1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-4-carboxamide
CID 132649676
N-[1-(2,4-dimethylphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 133167103
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-2-(1-methylpiperidin-4-yl)acetamide
CID 95397588
1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]piperidine-4-carboxamide
CID 94014096
(3S)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125076664
1-methyl-N-(1-phenylpropyl)piperidine-4-carboxamide
CID 50875269
(3S)-1-(benzenesulfonyl)-N-[(1S)-1-(2,4-dimethylphenyl)propyl]piperidine-3-carboxamide
CID 125072492
(3S)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(2,4-dimethylphenyl)propyl]piperidine-3-carboxamide
CID 125058820
N-[1-(4-methoxyphenyl)propyl]-1-methylpiperidine-4-carboxamide
CID 132649950
N-[(1S)-1-[5-(hydroxycarbamoyl)-4-methylthiophen-2-yl]propyl]-1-methylpiperidine-4-carboxamide
CID 58418271
1-acetyl-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 6469814

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-dimethylphenyl)propyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(2,4-dimethylphenyl)propyl]-1-methylpiperidine-4-carboxamide (CID 99970775) is N-[(1S)-1-(2,4-dimethylphenyl)propyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2,4-dimethylphenyl)propyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(2,4-dimethylphenyl)propyl]-1-methylpiperidine-4-carboxamide is CC[C@H](NC(=O)C1CCN(C)CC1)c1ccc(C)cc1C.
What is the InChIKey of N-[(1S)-1-(2,4-dimethylphenyl)propyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is QCRPGVLMNQBKRY-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-17(16-7-6-13(2)12-14(16)3)19-18(21)15-8-10-20(4)11-9-15/h6-7,12,15,17H,5,8-11H2,1-4H3,(H,19,21)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-dimethylphenyl)propyl]-1-methylpiperidine-4-carboxamide?
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-dimethylphenyl)propyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 99970775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).