4-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide

C23H29N3O2 — CID 120577601

IUPAC4-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide
SMILESCc1ccc(C(=O)NC(CC(=O)NC2CCCNC2C)c2ccccc2)cc1
InChIInChI=1S/C23H29N3O2/c1-16-10-12-19(13-11-16)23(28)26-21(18-7-4-3-5-8-18)15-22(27)25-20-9-6-14-24-17(20)2/h3-5,7-8,10-13,17,20-21,24H,6,9,14-15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyYRDBWIPQMUJKJV-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.11
Rot. Bonds6

About 4-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide

4-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 120577601) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 4-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide
PubChem CID120577601
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name4-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide
SMILESCc1ccc(C(=O)NC(CC(=O)NC2CCCNC2C)c2ccccc2)cc1
InChIInChI=1S/C23H29N3O2/c1-16-10-12-19(13-11-16)23(28)26-21(18-7-4-3-5-8-18)15-22(27)25-20-9-6-14-24-17(20)2/h3-5,7-8,10-13,17,20-21,24H,6,9,14-15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyYRDBWIPQMUJKJV-UHFFFAOYSA-N
XLogP3.11
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-3-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576079
N-[3-[(2,3-dimethylcyclohexyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 56827734
N-[(1R)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 124732495
N-[3-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-oxo-1-phenylpropyl]-4-methylbenzamide;hydrochloride
CID 119459009
3-acetamido-3-(4-bromophenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120577272
3-acetamido-3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
CID 120574869
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
CID 2547647
N-[3-[[1-(aminomethyl)cyclopentyl]amino]-3-oxo-1-phenylpropyl]-4-methylbenzamide;hydrochloride
CID 119567989
N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7899822
methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 2054812

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of 4-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide (CID 120577601) is 4-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for 4-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for 4-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide is Cc1ccc(C(=O)NC(CC(=O)NC2CCCNC2C)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is YRDBWIPQMUJKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16-10-12-19(13-11-16)23(28)26-21(18-7-4-3-5-8-18)15-22(27)25-20-9-6-14-24-17(20)2/h3-5,7-8,10-13,17,20-21,24H,6,9,14-15H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 4-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide?
4-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 379.50 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 120577601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).