(2S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-1-methylpiperidine-2-carboxamide

C17H27N3O — CID 126836180

IUPAC(2S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-1-methylpiperidine-2-carboxamide
SMILESCN(C)CCc1ccc(NC(=O)[C@@H]2CCCCN2C)cc1
InChIInChI=1S/C17H27N3O/c1-19(2)13-11-14-7-9-15(10-8-14)18-17(21)16-6-4-5-12-20(16)3/h7-10,16H,4-6,11-13H2,1-3H3,(H,18,21)/t16-/m0/s1
InChIKeyKUYCTEZUJVVLNL-INIZCTEOSA-N
MW289.42 g/mol
LogP2.21
Rot. Bonds5

About (2S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-1-methylpiperidine-2-carboxamide

(2S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-1-methylpiperidine-2-carboxamide (PubChem CID 126836180) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (2S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-1-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-1-methylpiperidine-2-carboxamide
PubChem CID126836180
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(2S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-1-methylpiperidine-2-carboxamide
SMILESCN(C)CCc1ccc(NC(=O)[C@@H]2CCCCN2C)cc1
InChIInChI=1S/C17H27N3O/c1-19(2)13-11-14-7-9-15(10-8-14)18-17(21)16-6-4-5-12-20(16)3/h7-10,16H,4-6,11-13H2,1-3H3,(H,18,21)/t16-/m0/s1
InChIKeyKUYCTEZUJVVLNL-INIZCTEOSA-N
XLogP2.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-1-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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-1-methylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-1-methylpiperidine-2-carboxamide (CID 126836180) is (2S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-1-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-1-methylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-1-methylpiperidine-2-carboxamide is CN(C)CCc1ccc(NC(=O)[C@@H]2CCCCN2C)cc1.
What is the InChIKey of (2S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-1-methylpiperidine-2-carboxamide?
The InChIKey is KUYCTEZUJVVLNL-INIZCTEOSA-N. The full InChI is InChI=1S/C17H27N3O/c1-19(2)13-11-14-7-9-15(10-8-14)18-17(21)16-6-4-5-12-20(16)3/h7-10,16H,4-6,11-13H2,1-3H3,(H,18,21)/t16-/m0/s1.
What are the key properties of (2S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-1-methylpiperidine-2-carboxamide?
(2S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-1-methylpiperidine-2-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-1-methylpiperidine-2-carboxamide is sourced from PubChem (CID 126836180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).