N-(1-butanoylpiperidin-4-yl)-3-(4-methylphenyl)propanamide

C19H28N2O2 — CID 110819291

IUPACN-(1-butanoylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
SMILESCCCC(=O)N1CCC(NC(=O)CCc2ccc(C)cc2)CC1
InChIInChI=1S/C19H28N2O2/c1-3-4-19(23)21-13-11-17(12-14-21)20-18(22)10-9-16-7-5-15(2)6-8-16/h5-8,17H,3-4,9-14H2,1-2H3,(H,20,22)
InChIKeyUQVFGBCUSKSQJT-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.83
Rot. Bonds6

About N-(1-butanoylpiperidin-4-yl)-3-(4-methylphenyl)propanamide

N-(1-butanoylpiperidin-4-yl)-3-(4-methylphenyl)propanamide (PubChem CID 110819291) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-(1-butanoylpiperidin-4-yl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(1-butanoylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
PubChem CID110819291
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-(1-butanoylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
SMILESCCCC(=O)N1CCC(NC(=O)CCc2ccc(C)cc2)CC1
InChIInChI=1S/C19H28N2O2/c1-3-4-19(23)21-13-11-17(12-14-21)20-18(22)10-9-16-7-5-15(2)6-8-16/h5-8,17H,3-4,9-14H2,1-2H3,(H,20,22)
InChIKeyUQVFGBCUSKSQJT-UHFFFAOYSA-N
XLogP2.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705
3-cyclohexyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide
CID 108555735
3-(4-chlorophenyl)-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556580
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556376
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]butanamide
CID 110821940
2-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide
CID 110822595
4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide
CID 108549141
1-[4-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one;hydrochloride
CID 119559786
3-(3-methylphenyl)-N-(1-pentanoylpiperidin-4-yl)propanamide
CID 110819545
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556366
N-[1-(4-bromobenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556360
N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554270

Frequently Asked Questions

What is the IUPAC name of N-(1-butanoylpiperidin-4-yl)-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(1-butanoylpiperidin-4-yl)-3-(4-methylphenyl)propanamide (CID 110819291) is N-(1-butanoylpiperidin-4-yl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(1-butanoylpiperidin-4-yl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(1-butanoylpiperidin-4-yl)-3-(4-methylphenyl)propanamide is CCCC(=O)N1CCC(NC(=O)CCc2ccc(C)cc2)CC1.
What is the InChIKey of N-(1-butanoylpiperidin-4-yl)-3-(4-methylphenyl)propanamide?
The InChIKey is UQVFGBCUSKSQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-3-4-19(23)21-13-11-17(12-14-21)20-18(22)10-9-16-7-5-15(2)6-8-16/h5-8,17H,3-4,9-14H2,1-2H3,(H,20,22).
What are the key properties of N-(1-butanoylpiperidin-4-yl)-3-(4-methylphenyl)propanamide?
N-(1-butanoylpiperidin-4-yl)-3-(4-methylphenyl)propanamide has a molecular weight of 316.44 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butanoylpiperidin-4-yl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 110819291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).