N-[3-(3,4-dimethoxyphenyl)propyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide

C25H34N2O3 — CID 46765228

IUPACN-[3-(3,4-dimethoxyphenyl)propyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CCCNC(=O)C2CCN(Cc3ccccc3C)CC2)cc1OC
InChIInChI=1S/C25H34N2O3/c1-19-7-4-5-9-22(19)18-27-15-12-21(13-16-27)25(28)26-14-6-8-20-10-11-23(29-2)24(17-20)30-3/h4-5,7,9-11,17,21H,6,8,12-16,18H2,1-3H3,(H,26,28)
InChIKeyXLNVKPMXJPNSCP-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.97
Rot. Bonds9

About N-[3-(3,4-dimethoxyphenyl)propyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide

N-[3-(3,4-dimethoxyphenyl)propyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 46765228) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)propyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)propyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID46765228
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC NameN-[3-(3,4-dimethoxyphenyl)propyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CCCNC(=O)C2CCN(Cc3ccccc3C)CC2)cc1OC
InChIInChI=1S/C25H34N2O3/c1-19-7-4-5-9-22(19)18-27-15-12-21(13-16-27)25(28)26-14-6-8-20-10-11-23(29-2)24(17-20)30-3/h4-5,7,9-11,17,21H,6,8,12-16,18H2,1-3H3,(H,26,28)
InChIKeyXLNVKPMXJPNSCP-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 30137323
1-[(4-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 1080752
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
CID 3932347
1-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 6465009
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 38150715
1-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1096579
1-(3,4-dimethoxybenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 113003957
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
1-benzoyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110298322
N-[(2-ethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 46775726
N-[3-(3,4-dimethoxyphenyl)propyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46765225
1-[(2-methylphenyl)methyl]piperidine-4-carbohydrazide
CID 54793639

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)propyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)propyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide (CID 46765228) is N-[3-(3,4-dimethoxyphenyl)propyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)propyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)propyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide is COc1ccc(CCCNC(=O)C2CCN(Cc3ccccc3C)CC2)cc1OC.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)propyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is XLNVKPMXJPNSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-19-7-4-5-9-22(19)18-27-15-12-21(13-16-27)25(28)26-14-6-8-20-10-11-23(29-2)24(17-20)30-3/h4-5,7,9-11,17,21H,6,8,12-16,18H2,1-3H3,(H,26,28).
What are the key properties of N-[3-(3,4-dimethoxyphenyl)propyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
N-[3-(3,4-dimethoxyphenyl)propyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)propyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46765228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).