N,N-dimethyl-4-[1-(2-methylphenyl)ethylamino]piperidine-1-carboxamide

C17H27N3O — CID 83206943

IUPACN,N-dimethyl-4-[1-(2-methylphenyl)ethylamino]piperidine-1-carboxamide
SMILESCc1ccccc1C(C)NC1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C17H27N3O/c1-13-7-5-6-8-16(13)14(2)18-15-9-11-20(12-10-15)17(21)19(3)4/h5-8,14-15,18H,9-12H2,1-4H3
InChIKeyVFSBNBKHFYBCRL-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.79
Rot. Bonds3

About N,N-dimethyl-4-[1-(2-methylphenyl)ethylamino]piperidine-1-carboxamide

N,N-dimethyl-4-[1-(2-methylphenyl)ethylamino]piperidine-1-carboxamide (PubChem CID 83206943) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(2-methylphenyl)ethylamino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(2-methylphenyl)ethylamino]piperidine-1-carboxamide
PubChem CID83206943
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN,N-dimethyl-4-[1-(2-methylphenyl)ethylamino]piperidine-1-carboxamide
SMILESCc1ccccc1C(C)NC1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C17H27N3O/c1-13-7-5-6-8-16(13)14(2)18-15-9-11-20(12-10-15)17(21)19(3)4/h5-8,14-15,18H,9-12H2,1-4H3
InChIKeyVFSBNBKHFYBCRL-UHFFFAOYSA-N
XLogP2.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(1R)-1-(2-methylphenyl)ethyl]amino]piperidine-1-carboxamide
CID 81374272
N,N-dimethyl-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxamide
CID 83206240
N,N-dimethyl-4-(1-phenylethylamino)piperidine-1-carboxamide
CID 83205698
N-[(1R)-1-(2-methylphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 28652659
N,N-dimethyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxamide
CID 83261830
N,N-dimethyl-4-[[(1S)-1-pyridin-2-ylethyl]amino]piperidine-1-carboxamide
CID 83262155
N,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715
4-[[(1S)-1-(furan-2-yl)ethyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 83261936
4-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 43081539
4-(2,3-dimethylanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83236371
1-[4-[1-(2-chlorophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43223681
4,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 81373520

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(2-methylphenyl)ethylamino]piperidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[1-(2-methylphenyl)ethylamino]piperidine-1-carboxamide (CID 83206943) is N,N-dimethyl-4-[1-(2-methylphenyl)ethylamino]piperidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[1-(2-methylphenyl)ethylamino]piperidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[1-(2-methylphenyl)ethylamino]piperidine-1-carboxamide is Cc1ccccc1C(C)NC1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-4-[1-(2-methylphenyl)ethylamino]piperidine-1-carboxamide?
The InChIKey is VFSBNBKHFYBCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-7-5-6-8-16(13)14(2)18-15-9-11-20(12-10-15)17(21)19(3)4/h5-8,14-15,18H,9-12H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[1-(2-methylphenyl)ethylamino]piperidine-1-carboxamide?
N,N-dimethyl-4-[1-(2-methylphenyl)ethylamino]piperidine-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-(2-methylphenyl)ethylamino]piperidine-1-carboxamide is sourced from PubChem (CID 83206943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).