N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide

C26H34N2O4 — CID 46409786

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C26H34N2O4/c1-4-27(19-21-10-12-23(31-2)24(18-21)32-3)26(30)22-14-16-28(17-15-22)25(29)13-11-20-8-6-5-7-9-20/h5-10,12,18,22H,4,11,13-17,19H2,1-3H3
InChIKeyDFBHXBMRBHGOJM-UHFFFAOYSA-N
MW438.57 g/mol
LogP3.92
Rot. Bonds9

About N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide (PubChem CID 46409786) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
PubChem CID46409786
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C26H34N2O4/c1-4-27(19-21-10-12-23(31-2)24(18-21)32-3)26(30)22-14-16-28(17-15-22)25(29)13-11-20-8-6-5-7-9-20/h5-10,12,18,22H,4,11,13-17,19H2,1-3H3
InChIKeyDFBHXBMRBHGOJM-UHFFFAOYSA-N
XLogP3.92
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
4-[3-(3,4-dimethoxyphenyl)propanoyl]-N,N-diethylpiperazine-1-carboxamide
CID 108569787
N-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004404
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-phenylacetamide
CID 108551307
methyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate
CID 110754107
1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 110686023
N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(2-phenoxyacetyl)-N-propylpiperidine-4-carboxamide
CID 55630994
N-ethyl-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55856025
1-[3-(4-methoxyphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 110350832
cis-(1S,3R)-3-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylcyclopentane-1-carboxamide
CID 124683673
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide
CID 28633693
N-benzyl-N-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113004413

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide (CID 46409786) is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide is CCN(Cc1ccc(OC)c(OC)c1)C(=O)C1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The InChIKey is DFBHXBMRBHGOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4/c1-4-27(19-21-10-12-23(31-2)24(18-21)32-3)26(30)22-14-16-28(17-15-22)25(29)13-11-20-8-6-5-7-9-20/h5-10,12,18,22H,4,11,13-17,19H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide has a molecular weight of 438.57 g/mol, XLogP of 3.92, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 46409786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).