1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide

C21H26N2O2 — CID 43919718

IUPAC1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C21H26N2O2/c1-2-25-20-13-7-6-12-19(20)22-21(24)18-11-8-14-23(16-18)15-17-9-4-3-5-10-17/h3-7,9-10,12-13,18H,2,8,11,14-16H2,1H3,(H,22,24)
InChIKeyQGKRTJXLBHSKIU-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.94
Rot. Bonds6

About 1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide

1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide (PubChem CID 43919718) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
PubChem CID43919718
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C21H26N2O2/c1-2-25-20-13-7-6-12-19(20)22-21(24)18-11-8-14-23(16-18)15-17-9-4-3-5-10-17/h3-7,9-10,12-13,18H,2,8,11,14-16H2,1H3,(H,22,24)
InChIKeyQGKRTJXLBHSKIU-UHFFFAOYSA-N
XLogP3.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 93490668
N-(2-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43919730
N-(2-ethoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43919757
(3S)-1-benzyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 93490464
(3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 93490302
1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919369
1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide
CID 60563080
(3S)-1-N-benzyl-3-N-(2-ethoxyphenyl)piperidine-1,3-dicarboxamide
CID 7435314
(3S)-1-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 92851241
(3R)-1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 93490919
methyl 2-[[(3S)-1-benzylpiperidine-3-carbonyl]amino]benzoate
CID 93490753
1-[(4-bromophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 43920252

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide (CID 43919718) is 1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide is CCOc1ccccc1NC(=O)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide?
The InChIKey is QGKRTJXLBHSKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-2-25-20-13-7-6-12-19(20)22-21(24)18-11-8-14-23(16-18)15-17-9-4-3-5-10-17/h3-7,9-10,12-13,18H,2,8,11,14-16H2,1H3,(H,22,24).
What are the key properties of 1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide?
1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43919718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).