(2S,4S)-2-methyl-N-[2-methyl-4-(1-phenylethoxy)phenyl]piperidine-4-carboxamide

C22H28N2O2 — CID 120630841

IUPAC(2S,4S)-2-methyl-N-[2-methyl-4-(1-phenylethoxy)phenyl]piperidine-4-carboxamide
SMILESCc1cc(OC(C)c2ccccc2)ccc1NC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C22H28N2O2/c1-15-13-20(26-17(3)18-7-5-4-6-8-18)9-10-21(15)24-22(25)19-11-12-23-16(2)14-19/h4-10,13,16-17,19,23H,11-12,14H2,1-3H3,(H,24,25)/t16-,17?,19-/m0/s1
InChIKeyVKEBPBNIONXLFI-VBIIVCKISA-N
MW352.48 g/mol
LogP4.46
Rot. Bonds5

About (2S,4S)-2-methyl-N-[2-methyl-4-(1-phenylethoxy)phenyl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[2-methyl-4-(1-phenylethoxy)phenyl]piperidine-4-carboxamide (PubChem CID 120630841) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[2-methyl-4-(1-phenylethoxy)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[2-methyl-4-(1-phenylethoxy)phenyl]piperidine-4-carboxamide
PubChem CID120630841
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name(2S,4S)-2-methyl-N-[2-methyl-4-(1-phenylethoxy)phenyl]piperidine-4-carboxamide
SMILESCc1cc(OC(C)c2ccccc2)ccc1NC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C22H28N2O2/c1-15-13-20(26-17(3)18-7-5-4-6-8-18)9-10-21(15)24-22(25)19-11-12-23-16(2)14-19/h4-10,13,16-17,19,23H,11-12,14H2,1-3H3,(H,24,25)/t16-,17?,19-/m0/s1
InChIKeyVKEBPBNIONXLFI-VBIIVCKISA-N
XLogP4.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-2-methyl-N-[2-methyl-4-(1-phenylethoxy)phenyl]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

(2R)-N-[2-methyl-4-[(1S)-1-phenylethoxy]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 95348677
(2R)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 95348679
N-(4-chloro-2-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 106738674
2-methyl-N-(2-methyl-1-phenylpropyl)piperidine-4-carboxamide
CID 106738958
2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514
N-[2-methyl-4-(1-phenylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938718
(2S,4S)-N-(3-benzamido-2-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 120624536
(2S,4S)-N-(2-hydroxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631829
(2S,4S)-2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120628608
2-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
CID 106738709
methyl 5-methoxy-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate
CID 120625991
2-methyl-3-(methylamino)-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide;hydrochloride
CID 119773715

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[2-methyl-4-(1-phenylethoxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[2-methyl-4-(1-phenylethoxy)phenyl]piperidine-4-carboxamide (CID 120630841) is (2S,4S)-2-methyl-N-[2-methyl-4-(1-phenylethoxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[2-methyl-4-(1-phenylethoxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[2-methyl-4-(1-phenylethoxy)phenyl]piperidine-4-carboxamide is Cc1cc(OC(C)c2ccccc2)ccc1NC(=O)[C@H]1CCN[C@@H](C)C1.
What is the InChIKey of (2S,4S)-2-methyl-N-[2-methyl-4-(1-phenylethoxy)phenyl]piperidine-4-carboxamide?
The InChIKey is VKEBPBNIONXLFI-VBIIVCKISA-N. The full InChI is InChI=1S/C22H28N2O2/c1-15-13-20(26-17(3)18-7-5-4-6-8-18)9-10-21(15)24-22(25)19-11-12-23-16(2)14-19/h4-10,13,16-17,19,23H,11-12,14H2,1-3H3,(H,24,25)/t16-,17?,19-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[2-methyl-4-(1-phenylethoxy)phenyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[2-methyl-4-(1-phenylethoxy)phenyl]piperidine-4-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[2-methyl-4-(1-phenylethoxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 120630841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).