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

C20H30N2O2 — CID 110819545

IUPAC3-(3-methylphenyl)-N-(1-pentanoylpiperidin-4-yl)propanamide
SMILESCCCCC(=O)N1CCC(NC(=O)CCc2cccc(C)c2)CC1
InChIInChI=1S/C20H30N2O2/c1-3-4-8-20(24)22-13-11-18(12-14-22)21-19(23)10-9-17-7-5-6-16(2)15-17/h5-7,15,18H,3-4,8-14H2,1-2H3,(H,21,23)
InChIKeyVGBDQGLMUYTAPP-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.23
Rot. Bonds7

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

3-(3-methylphenyl)-N-(1-pentanoylpiperidin-4-yl)propanamide (PubChem CID 110819545) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-(1-pentanoylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-(1-pentanoylpiperidin-4-yl)propanamide
PubChem CID110819545
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name3-(3-methylphenyl)-N-(1-pentanoylpiperidin-4-yl)propanamide
SMILESCCCCC(=O)N1CCC(NC(=O)CCc2cccc(C)c2)CC1
InChIInChI=1S/C20H30N2O2/c1-3-4-8-20(24)22-13-11-18(12-14-22)21-19(23)10-9-17-7-5-6-16(2)15-17/h5-7,15,18H,3-4,8-14H2,1-2H3,(H,21,23)
InChIKeyVGBDQGLMUYTAPP-UHFFFAOYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenoxy)-N-(1-pentanoylpiperidin-4-yl)acetamide
CID 110819560
tert-butyl N-[3-[[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108919706
N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pentanamide
CID 110822925
N-(1-butanoylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
CID 110819291
N-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]ethanesulfonamide
CID 110822627
N-cyclopentyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide
CID 110810944
N-(1-acetylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 110715006
N-(4,4-difluorocyclohexyl)-3-(3-methylphenyl)propanamide
CID 121021894
ethyl [4-[4-[3-(3-methylphenyl)propanoylamino]piperidine-1-carbonyl]phenyl] carbonate
CID 108930457
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide
CID 110822276
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(3-methylphenyl)propan-1-one;hydrochloride
CID 119644243
methyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821768

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-(1-pentanoylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(3-methylphenyl)-N-(1-pentanoylpiperidin-4-yl)propanamide (CID 110819545) is 3-(3-methylphenyl)-N-(1-pentanoylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(3-methylphenyl)-N-(1-pentanoylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(3-methylphenyl)-N-(1-pentanoylpiperidin-4-yl)propanamide is CCCCC(=O)N1CCC(NC(=O)CCc2cccc(C)c2)CC1.
What is the InChIKey of 3-(3-methylphenyl)-N-(1-pentanoylpiperidin-4-yl)propanamide?
The InChIKey is VGBDQGLMUYTAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-3-4-8-20(24)22-13-11-18(12-14-22)21-19(23)10-9-17-7-5-6-16(2)15-17/h5-7,15,18H,3-4,8-14H2,1-2H3,(H,21,23).
What are the key properties of 3-(3-methylphenyl)-N-(1-pentanoylpiperidin-4-yl)propanamide?
3-(3-methylphenyl)-N-(1-pentanoylpiperidin-4-yl)propanamide has a molecular weight of 330.47 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-(1-pentanoylpiperidin-4-yl)propanamide is sourced from PubChem (CID 110819545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).