1-N-(3,4-dimethoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide

C24H31N3O5 — CID 52998923

IUPAC1-N-(3,4-dimethoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
SMILESCOc1ccc(CNC(=O)C2(C)CCN(C(=O)Nc3ccc(OC)c(OC)c3)CC2)cc1
InChIInChI=1S/C24H31N3O5/c1-24(22(28)25-16-17-5-8-19(30-2)9-6-17)11-13-27(14-12-24)23(29)26-18-7-10-20(31-3)21(15-18)32-4/h5-10,15H,11-14,16H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyMSMHDHYMTXJWRC-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.66
Rot. Bonds7

About 1-N-(3,4-dimethoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide

1-N-(3,4-dimethoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide (PubChem CID 52998923) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is 1-N-(3,4-dimethoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3,4-dimethoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
PubChem CID52998923
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC Name1-N-(3,4-dimethoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
SMILESCOc1ccc(CNC(=O)C2(C)CCN(C(=O)Nc3ccc(OC)c(OC)c3)CC2)cc1
InChIInChI=1S/C24H31N3O5/c1-24(22(28)25-16-17-5-8-19(30-2)9-6-17)11-13-27(14-12-24)23(29)26-18-7-10-20(31-3)21(15-18)32-4/h5-10,15H,11-14,16H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyMSMHDHYMTXJWRC-UHFFFAOYSA-N
XLogP3.66
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-N-(3,4-dimethoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide with MolForge

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Related Compounds

1-N-(4-fluorophenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
CID 53070839
4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-(3,4,5-trimethoxyphenyl)piperidine-1,4-dicarboxamide
CID 53070862
(3S)-3-N-benzyl-1-N-(3,4-dimethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088047
1-N-(2-fluorophenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
CID 20933115
1-N-(4-bromo-3-methylphenyl)-4-N-[(3-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
CID 53070873
4-N-benzyl-1-N-(2-methoxyphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998868
4-N-benzyl-1-N-(4-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998873
N-[(4-methoxyphenyl)methyl]-4-methyl-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 52999111
4-N-benzyl-1-N-(4-bromophenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998894
1-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 52999112
N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-4-methylpiperidine-4-carboxamide
CID 52999128
1-[(3-ethoxy-4-methoxyphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122076607

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-dimethoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(3,4-dimethoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide (CID 52998923) is 1-N-(3,4-dimethoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3,4-dimethoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3,4-dimethoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide is COc1ccc(CNC(=O)C2(C)CCN(C(=O)Nc3ccc(OC)c(OC)c3)CC2)cc1.
What is the InChIKey of 1-N-(3,4-dimethoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide?
The InChIKey is MSMHDHYMTXJWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5/c1-24(22(28)25-16-17-5-8-19(30-2)9-6-17)11-13-27(14-12-24)23(29)26-18-7-10-20(31-3)21(15-18)32-4/h5-10,15H,11-14,16H2,1-4H3,(H,25,28)(H,26,29).
What are the key properties of 1-N-(3,4-dimethoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide?
1-N-(3,4-dimethoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide has a molecular weight of 441.53 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-dimethoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 52998923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).