N-[2-(dimethylamino)-2-phenylethyl]-4-methylpiperidine-2-carboxamide

C17H27N3O — CID 114423675

IUPACN-[2-(dimethylamino)-2-phenylethyl]-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NCC(c2ccccc2)N(C)C)C1
InChIInChI=1S/C17H27N3O/c1-13-9-10-18-15(11-13)17(21)19-12-16(20(2)3)14-7-5-4-6-8-14/h4-8,13,15-16,18H,9-12H2,1-3H3,(H,19,21)
InChIKeyLTMWVSUYBXECBY-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.79
Rot. Bonds5

About N-[2-(dimethylamino)-2-phenylethyl]-4-methylpiperidine-2-carboxamide

N-[2-(dimethylamino)-2-phenylethyl]-4-methylpiperidine-2-carboxamide (PubChem CID 114423675) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-4-methylpiperidine-2-carboxamide
PubChem CID114423675
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NCC(c2ccccc2)N(C)C)C1
InChIInChI=1S/C17H27N3O/c1-13-9-10-18-15(11-13)17(21)19-12-16(20(2)3)14-7-5-4-6-8-14/h4-8,13,15-16,18H,9-12H2,1-3H3,(H,19,21)
InChIKeyLTMWVSUYBXECBY-UHFFFAOYSA-N
XLogP1.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(dimethylamino)-2-phenylethyl]-4-methylpiperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]thiomorpholine-3-carboxamide
CID 82908479
N-[2-(dimethylamino)-2-phenylethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119828799
3-[(4-methylpiperidine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 115867052
N-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperidine-2-carboxamide
CID 114423032
N-(2-ethylbutyl)-4-methylpiperidine-2-carboxamide
CID 114424587
N-(2,2-dichloroethyl)-4-methylpiperidine-2-carboxamide
CID 130551928
N-[2-(dimethylamino)-2-phenylethyl]cyclohexanecarboxamide
CID 45001445
N-[(2-ethylphenyl)methyl]-4-methylpiperidine-2-carboxamide
CID 114424125
N-(2-methoxypropyl)-4-methylpiperidine-2-carboxamide
CID 102695128
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide
CID 63046098
(1R,2S,4S)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98302763
4-methyl-N-(2-methylsulfanylpropyl)piperidine-2-carboxamide
CID 114424521

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-4-methylpiperidine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-4-methylpiperidine-2-carboxamide (CID 114423675) is N-[2-(dimethylamino)-2-phenylethyl]-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-4-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-4-methylpiperidine-2-carboxamide is CC1CCNC(C(=O)NCC(c2ccccc2)N(C)C)C1.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-4-methylpiperidine-2-carboxamide?
The InChIKey is LTMWVSUYBXECBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-9-10-18-15(11-13)17(21)19-12-16(20(2)3)14-7-5-4-6-8-14/h4-8,13,15-16,18H,9-12H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-4-methylpiperidine-2-carboxamide?
N-[2-(dimethylamino)-2-phenylethyl]-4-methylpiperidine-2-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 114423675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).