4-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide

C24H31N3O4 — CID 3571668

IUPAC4-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc1OC
InChIInChI=1S/C24H31N3O4/c1-17-4-7-20(8-5-17)26-24(29)27-14-11-19(12-15-27)23(28)25-13-10-18-6-9-21(30-2)22(16-18)31-3/h4-9,16,19H,10-15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyBAGJGAIECNKWGS-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.62
Rot. Bonds7

About 4-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide

4-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide (PubChem CID 3571668) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 4-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide
PubChem CID3571668
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name4-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc1OC
InChIInChI=1S/C24H31N3O4/c1-17-4-7-20(8-5-17)26-24(29)27-14-11-19(12-15-27)23(28)25-13-10-18-6-9-21(30-2)22(16-18)31-3/h4-9,16,19H,10-15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyBAGJGAIECNKWGS-UHFFFAOYSA-N
XLogP3.62
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 6465009
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 18190934
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145625
1-benzoyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110298322
4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 99559457
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 2920925
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107031
1-acetyl-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110795515
4-N-(3-ethoxypropyl)-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide
CID 651583
1-[(4-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 1080752
1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 3222789
N-[2-(4-methoxyphenyl)ethyl]-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16809626

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide (CID 3571668) is 4-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide is COc1ccc(CCNC(=O)C2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc1OC.
What is the InChIKey of 4-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide?
The InChIKey is BAGJGAIECNKWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-17-4-7-20(8-5-17)26-24(29)27-14-11-19(12-15-27)23(28)25-13-10-18-6-9-21(30-2)22(16-18)31-3/h4-9,16,19H,10-15H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 4-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide?
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide has a molecular weight of 425.53 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 3571668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).