3-acetamido-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide

C25H31N3O3 — CID 55677286

IUPAC3-acetamido-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1ccccc1C(=O)N1CC(C)CC(C)C1)c1ccccc1
InChIInChI=1S/C25H31N3O3/c1-17-13-18(2)16-28(15-17)25(31)21-11-7-8-12-22(21)27-24(30)14-23(26-19(3)29)20-9-5-4-6-10-20/h4-12,17-18,23H,13-16H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyBQBHJNQYRIJFNG-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.01
Rot. Bonds6

About 3-acetamido-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide

3-acetamido-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide (PubChem CID 55677286) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 3-acetamido-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide
PubChem CID55677286
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name3-acetamido-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1ccccc1C(=O)N1CC(C)CC(C)C1)c1ccccc1
InChIInChI=1S/C25H31N3O3/c1-17-13-18(2)16-28(15-17)25(31)21-11-7-8-12-22(21)27-24(30)14-23(26-19(3)29)20-9-5-4-6-10-20/h4-12,17-18,23H,13-16H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyBQBHJNQYRIJFNG-UHFFFAOYSA-N
XLogP4.01
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 102554567
3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide
CID 78796655
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119717975
N-[2-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]-2-oxoethyl]-2-phenylacetamide
CID 51942969
(3R)-3-acetamido-N-(2-methylphenyl)-3-phenylpropanamide
CID 2599103
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119717948
N-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 51942966
3-acetamido-N-(3-chloro-2-methylphenyl)-3-phenylpropanamide
CID 17401242
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119717968
(3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 41075346
N-[3-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 55677137
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylpropanamide
CID 60547227

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide (CID 55677286) is 3-acetamido-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide is CC(=O)NC(CC(=O)Nc1ccccc1C(=O)N1CC(C)CC(C)C1)c1ccccc1.
What is the InChIKey of 3-acetamido-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide?
The InChIKey is BQBHJNQYRIJFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-17-13-18(2)16-28(15-17)25(31)21-11-7-8-12-22(21)27-24(30)14-23(26-19(3)29)20-9-5-4-6-10-20/h4-12,17-18,23H,13-16H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 3-acetamido-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide?
3-acetamido-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide has a molecular weight of 421.54 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 55677286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).