2-methyl-N-[(1S)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]benzamide

C28H37N3O3 — CID 93198002

IUPAC2-methyl-N-[(1S)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]benzamide
SMILESCc1cccc(C(=O)N2CCC([C@H](NC(=O)c3ccccc3C)C(=O)N[C@H](C)C(C)C)CC2)c1
InChIInChI=1S/C28H37N3O3/c1-18(2)21(5)29-27(33)25(30-26(32)24-12-7-6-10-20(24)4)22-13-15-31(16-14-22)28(34)23-11-8-9-19(3)17-23/h6-12,17-18,21-22,25H,13-16H2,1-5H3,(H,29,33)(H,30,32)/t21-,25+/m1/s1
InChIKeyGEBAPMIBKBKNDZ-BWKNWUBXSA-N
MW463.62 g/mol
LogP4.11
Rot. Bonds7

About 2-methyl-N-[(1S)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]benzamide

2-methyl-N-[(1S)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]benzamide (PubChem CID 93198002) has the molecular formula C28H37N3O3 and a molecular weight of 463.62 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]benzamide
PubChem CID93198002
Molecular FormulaC28H37N3O3
Molecular Weight463.62 g/mol
Exact Mass463.28
IUPAC Name2-methyl-N-[(1S)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]benzamide
SMILESCc1cccc(C(=O)N2CCC([C@H](NC(=O)c3ccccc3C)C(=O)N[C@H](C)C(C)C)CC2)c1
InChIInChI=1S/C28H37N3O3/c1-18(2)21(5)29-27(33)25(30-26(32)24-12-7-6-10-20(24)4)22-13-15-31(16-14-22)28(34)23-11-8-9-19(3)17-23/h6-12,17-18,21-22,25H,13-16H2,1-5H3,(H,29,33)(H,30,32)/t21-,25+/m1/s1
InChIKeyGEBAPMIBKBKNDZ-BWKNWUBXSA-N
XLogP4.11
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.62
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[(1S)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]benzamide 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

2-methyl-N-[1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 46019117
2-methyl-N-[(1S)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93196567
2-methyl-N-[(1S)-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]benzamide
CID 93197964
N-[1-(1-benzoylpiperidin-4-yl)-2-(3-methylbutan-2-ylamino)-2-oxoethyl]benzamide
CID 42840462
N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]-2-methylbenzamide
CID 93197863
N-[1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-methylbenzamide
CID 46019114
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]-2-methylbenzamide
CID 93197865
N-[(1R)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 93199023
N-[(1R)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 93199025
N-[2-(cyclopropylamino)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 42840457
N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylbutan-2-ylamino)-2-oxoethyl]-3-methylbenzamide
CID 46020155
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-2-methylbenzamide
CID 93197809

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-methyl-N-[(1S)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]benzamide (CID 93198002) is 2-methyl-N-[(1S)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[(1S)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-methyl-N-[(1S)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]benzamide is Cc1cccc(C(=O)N2CCC([C@H](NC(=O)c3ccccc3C)C(=O)N[C@H](C)C(C)C)CC2)c1.
What is the InChIKey of 2-methyl-N-[(1S)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is GEBAPMIBKBKNDZ-BWKNWUBXSA-N. The full InChI is InChI=1S/C28H37N3O3/c1-18(2)21(5)29-27(33)25(30-26(32)24-12-7-6-10-20(24)4)22-13-15-31(16-14-22)28(34)23-11-8-9-19(3)17-23/h6-12,17-18,21-22,25H,13-16H2,1-5H3,(H,29,33)(H,30,32)/t21-,25+/m1/s1.
What are the key properties of 2-methyl-N-[(1S)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]benzamide?
2-methyl-N-[(1S)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 463.62 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 93198002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).