1-benzyl-N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-3-carboxamide

C25H34N2O3 — CID 46773192

IUPAC1-benzyl-N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)C2CCCN(Cc3ccccc3)C2)cc1OCC
InChIInChI=1S/C25H34N2O3/c1-4-29-23-14-13-21(16-24(23)30-5-2)19(3)26-25(28)22-12-9-15-27(18-22)17-20-10-7-6-8-11-20/h6-8,10-11,13-14,16,19,22H,4-5,9,12,15,17-18H2,1-3H3,(H,26,28)
InChIKeyZOLGBTIMGSIZTD-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.57
Rot. Bonds9

About 1-benzyl-N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-3-carboxamide

1-benzyl-N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 46773192) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 1-benzyl-N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-3-carboxamide
PubChem CID46773192
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name1-benzyl-N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)C2CCCN(Cc3ccccc3)C2)cc1OCC
InChIInChI=1S/C25H34N2O3/c1-4-29-23-14-13-21(16-24(23)30-5-2)19(3)26-25(28)22-12-9-15-27(18-22)17-20-10-7-6-8-11-20/h6-8,10-11,13-14,16,19,22H,4-5,9,12,15,17-18H2,1-3H3,(H,26,28)
InChIKeyZOLGBTIMGSIZTD-UHFFFAOYSA-N
XLogP4.57
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92684371
N-[1-(3,4-diethoxyphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929689
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 43919718
(3R)-1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 93490668
N-[1-(4-chlorophenyl)ethyl]-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 133159220
(3R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94024257
(3S)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 26707853
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide
CID 42958517
N-[(2S)-1-aminopropan-2-yl]-1-benzylpiperidine-3-carboxamide;dihydrochloride
CID 120507626
methyl (3R)-3-[[(3R)-1-benzylpiperidine-3-carbonyl]amino]butanoate
CID 95967789
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55637812

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-3-carboxamide (CID 46773192) is 1-benzyl-N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-3-carboxamide is CCOc1ccc(C(C)NC(=O)C2CCCN(Cc3ccccc3)C2)cc1OCC.
What is the InChIKey of 1-benzyl-N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is ZOLGBTIMGSIZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-4-29-23-14-13-21(16-24(23)30-5-2)19(3)26-25(28)22-12-9-15-27(18-22)17-20-10-7-6-8-11-20/h6-8,10-11,13-14,16,19,22H,4-5,9,12,15,17-18H2,1-3H3,(H,26,28).
What are the key properties of 1-benzyl-N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-3-carboxamide?
1-benzyl-N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 46773192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).