4-[[2-acetamido-3-(2-methoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide

C25H32N4O4 — CID 6487353

IUPAC4-[[2-acetamido-3-(2-methoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide
SMILESCOc1ccccc1CC(NC(C)=O)C(=O)NC1CCN(C(=O)Nc2ccccc2C)CC1
InChIInChI=1S/C25H32N4O4/c1-17-8-4-6-10-21(17)28-25(32)29-14-12-20(13-15-29)27-24(31)22(26-18(2)30)16-19-9-5-7-11-23(19)33-3/h4-11,20,22H,12-16H2,1-3H3,(H,26,30)(H,27,31)(H,28,32)
InChIKeyNCBQQMJHPMTGES-UHFFFAOYSA-N
MW452.56 g/mol
LogP2.86
Rot. Bonds7

About 4-[[2-acetamido-3-(2-methoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide

4-[[2-acetamido-3-(2-methoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide (PubChem CID 6487353) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is 4-[[2-acetamido-3-(2-methoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-acetamido-3-(2-methoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide
PubChem CID6487353
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC Name4-[[2-acetamido-3-(2-methoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide
SMILESCOc1ccccc1CC(NC(C)=O)C(=O)NC1CCN(C(=O)Nc2ccccc2C)CC1
InChIInChI=1S/C25H32N4O4/c1-17-8-4-6-10-21(17)28-25(32)29-14-12-20(13-15-29)27-24(31)22(26-18(2)30)16-19-9-5-7-11-23(19)33-3/h4-11,20,22H,12-16H2,1-3H3,(H,26,30)(H,27,31)(H,28,32)
InChIKeyNCBQQMJHPMTGES-UHFFFAOYSA-N
XLogP2.86
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-3-(2-methylphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 646596
4-[(2-acetamido-3-phenylpropanoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 6487275
4-[[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 6487379
2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,3-dimethoxyphenyl)propanamide
CID 6490056
2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2,5-dimethoxyphenyl)propanamide
CID 6490067
(2R)-2-acetamido-N-[1-(3-methylbenzoyl)piperidin-4-yl]-3-(2-methylphenyl)propanamide
CID 7407132
2-acetamido-3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 652749
(2S)-2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,3-dimethoxyphenyl)propanamide
CID 93473313
(2S)-2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 7407179
2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 3227061
4-[[(2S)-2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 7407157
methyl 2-[4-[[2-acetamido-3-(2,3-dimethoxyphenyl)propanoyl]amino]piperidin-1-yl]sulfonylbenzoate
CID 3231798

Frequently Asked Questions

What is the IUPAC name of 4-[[2-acetamido-3-(2-methoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[[2-acetamido-3-(2-methoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide (CID 6487353) is 4-[[2-acetamido-3-(2-methoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[[2-acetamido-3-(2-methoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[[2-acetamido-3-(2-methoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide is COc1ccccc1CC(NC(C)=O)C(=O)NC1CCN(C(=O)Nc2ccccc2C)CC1.
What is the InChIKey of 4-[[2-acetamido-3-(2-methoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide?
The InChIKey is NCBQQMJHPMTGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-17-8-4-6-10-21(17)28-25(32)29-14-12-20(13-15-29)27-24(31)22(26-18(2)30)16-19-9-5-7-11-23(19)33-3/h4-11,20,22H,12-16H2,1-3H3,(H,26,30)(H,27,31)(H,28,32).
What are the key properties of 4-[[2-acetamido-3-(2-methoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide?
4-[[2-acetamido-3-(2-methoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 2.86, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-acetamido-3-(2-methoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 6487353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).