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

C25H29N5O3 — CID 6487295

IUPAC4-[[2-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(4-cyanophenyl)piperidine-1-carboxamide
SMILESCC(=O)NC(Cc1ccc(C)cc1)C(=O)NC1CCN(C(=O)Nc2ccc(C#N)cc2)CC1
InChIInChI=1S/C25H29N5O3/c1-17-3-5-19(6-4-17)15-23(27-18(2)31)24(32)28-22-11-13-30(14-12-22)25(33)29-21-9-7-20(16-26)8-10-21/h3-10,22-23H,11-15H2,1-2H3,(H,27,31)(H,28,32)(H,29,33)
InChIKeyFLWULFVXHPRHPM-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.73
Rot. Bonds6

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

4-[[2-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(4-cyanophenyl)piperidine-1-carboxamide (PubChem CID 6487295) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 4-[[2-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(4-cyanophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(4-cyanophenyl)piperidine-1-carboxamide
PubChem CID6487295
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name4-[[2-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(4-cyanophenyl)piperidine-1-carboxamide
SMILESCC(=O)NC(Cc1ccc(C)cc1)C(=O)NC1CCN(C(=O)Nc2ccc(C#N)cc2)CC1
InChIInChI=1S/C25H29N5O3/c1-17-3-5-19(6-4-17)15-23(27-18(2)31)24(32)28-22-11-13-30(14-12-22)25(33)29-21-9-7-20(16-26)8-10-21/h3-10,22-23H,11-15H2,1-2H3,(H,27,31)(H,28,32)(H,29,33)
InChIKeyFLWULFVXHPRHPM-UHFFFAOYSA-N
XLogP2.73
TPSA114.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[2-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(4-cyanophenyl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 6487379
4-[(2-acetamido-3-phenylpropanoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 6487275
4-[[(2S)-2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 7407157
2-acetamido-3-(3,5-dimethoxyphenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide
CID 3227076
N-(4-cyanophenyl)-4-(2,5-dimethylpyrrol-1-yl)piperidine-1-carboxamide
CID 47092621
2-acetamido-3-(4-fluorophenyl)-N-[1-(methylcarbamothioyl)piperidin-4-yl]propanamide
CID 3227002
(2R)-2-acetamido-3-(3-fluorophenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide
CID 7407153
2-acetamido-3-(4-methylphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 3232423
ethyl 2-acetamido-3-(4-cyanophenyl)propanoate
CID 10869023
ethyl 4-[[3-(4-cyanoanilino)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108950286
2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 3227061
(2S)-2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 7407179

Frequently Asked Questions

What is the IUPAC name of 4-[[2-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(4-cyanophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[[2-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(4-cyanophenyl)piperidine-1-carboxamide (CID 6487295) is 4-[[2-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(4-cyanophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[[2-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(4-cyanophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[[2-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(4-cyanophenyl)piperidine-1-carboxamide is CC(=O)NC(Cc1ccc(C)cc1)C(=O)NC1CCN(C(=O)Nc2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-[[2-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(4-cyanophenyl)piperidine-1-carboxamide?
The InChIKey is FLWULFVXHPRHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-17-3-5-19(6-4-17)15-23(27-18(2)31)24(32)28-22-11-13-30(14-12-22)25(33)29-21-9-7-20(16-26)8-10-21/h3-10,22-23H,11-15H2,1-2H3,(H,27,31)(H,28,32)(H,29,33).
What are the key properties of 4-[[2-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(4-cyanophenyl)piperidine-1-carboxamide?
4-[[2-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(4-cyanophenyl)piperidine-1-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(4-cyanophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 6487295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).