(2S,4S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide

C17H26N2O2 — CID 120618998

IUPAC(2S,4S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide
SMILESCc1ccccc1OCCN(C)C(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C17H26N2O2/c1-13-6-4-5-7-16(13)21-11-10-19(3)17(20)15-8-9-18-14(2)12-15/h4-7,14-15,18H,8-12H2,1-3H3/t14-,15-/m0/s1
InChIKeyXVCDEJFCNMSEHA-GJZGRUSLSA-N
MW290.41 g/mol
LogP2.22
Rot. Bonds5

About (2S,4S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide

(2S,4S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide (PubChem CID 120618998) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2S,4S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide
PubChem CID120618998
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2S,4S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide
SMILESCc1ccccc1OCCN(C)C(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C17H26N2O2/c1-13-6-4-5-7-16(13)21-11-10-19(3)17(20)15-8-9-18-14(2)12-15/h4-7,14-15,18H,8-12H2,1-3H3/t14-,15-/m0/s1
InChIKeyXVCDEJFCNMSEHA-GJZGRUSLSA-N
XLogP2.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-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

(2S,4S)-N,2-dimethyl-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 120617248
(2S,4S)-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120618207
N,2-dimethyl-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 106739374
(2S,4S)-2-methyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120624791
(2R,3S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]morpholine-3-carboxamide
CID 120920151
N-[(2-methoxyphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 106739545
(3R)-N-methyl-N-[2-(2-methylphenoxy)ethyl]morpholine-3-carboxamide
CID 124513206
N,2-dimethyl-N-(4-phenylbutyl)piperidine-4-carboxamide
CID 106739419
N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119294048
N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-2-carboxamide
CID 119298328
4-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopent-2-ene-1-carboxamide
CID 79210479
(2S,4S)-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120629959

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide (CID 120618998) is (2S,4S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide is Cc1ccccc1OCCN(C)C(=O)[C@H]1CCN[C@@H](C)C1.
What is the InChIKey of (2S,4S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide?
The InChIKey is XVCDEJFCNMSEHA-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-6-4-5-7-16(13)21-11-10-19(3)17(20)15-8-9-18-14(2)12-15/h4-7,14-15,18H,8-12H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of (2S,4S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide?
(2S,4S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 120618998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).