(3R)-N-[(4-ethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide

C16H24N2O2 — CID 81124371

IUPAC(3R)-N-[(4-ethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCCOc1ccc(CN(C)C(=O)[C@@H]2CCCNC2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-20-15-8-6-13(7-9-15)12-18(2)16(19)14-5-4-10-17-11-14/h6-9,14,17H,3-5,10-12H2,1-2H3/t14-/m1/s1
InChIKeyKPESTAWDCQLLGA-CQSZACIVSA-N
MW276.38 g/mol
LogP2.04
Rot. Bonds5

About (3R)-N-[(4-ethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide

(3R)-N-[(4-ethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide (PubChem CID 81124371) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (3R)-N-[(4-ethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4-ethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
PubChem CID81124371
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(3R)-N-[(4-ethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCCOc1ccc(CN(C)C(=O)[C@@H]2CCCNC2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-20-15-8-6-13(7-9-15)12-18(2)16(19)14-5-4-10-17-11-14/h6-9,14,17H,3-5,10-12H2,1-2H3/t14-/m1/s1
InChIKeyKPESTAWDCQLLGA-CQSZACIVSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43579181
(3S)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81129751
(3R)-N-[(4-carbamoylphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81128806
(3R)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81133672
(3R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 81128292
3-amino-N-[(4-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119681006
4-amino-N-[(4-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 60936865
N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 119301226
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 81125976
(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81125207
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119279483
(3R)-N-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 81129550

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-ethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(4-ethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide (CID 81124371) is (3R)-N-[(4-ethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(4-ethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(4-ethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide is CCOc1ccc(CN(C)C(=O)[C@@H]2CCCNC2)cc1.
What is the InChIKey of (3R)-N-[(4-ethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is KPESTAWDCQLLGA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-20-15-8-6-13(7-9-15)12-18(2)16(19)14-5-4-10-17-11-14/h6-9,14,17H,3-5,10-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-N-[(4-ethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
(3R)-N-[(4-ethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-ethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 81124371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).