5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide

C18H28N2O — CID 120576475

IUPAC5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide
SMILESCc1ccc(CCCCC(=O)NC2CCCNC2C)cc1
InChIInChI=1S/C18H28N2O/c1-14-9-11-16(12-10-14)6-3-4-8-18(21)20-17-7-5-13-19-15(17)2/h9-12,15,17,19H,3-8,13H2,1-2H3,(H,20,21)
InChIKeyZBZNJZZIBFBLAZ-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.96
Rot. Bonds6

About 5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide

5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide (PubChem CID 120576475) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide
PubChem CID120576475
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide
SMILESCc1ccc(CCCCC(=O)NC2CCCNC2C)cc1
InChIInChI=1S/C18H28N2O/c1-14-9-11-16(12-10-14)6-3-4-8-18(21)20-17-7-5-13-19-15(17)2/h9-12,15,17,19H,3-8,13H2,1-2H3,(H,20,21)
InChIKeyZBZNJZZIBFBLAZ-UHFFFAOYSA-N
XLogP2.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide;hydrochloride
CID 120576474
3-(4-methylphenyl)-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]propanamide
CID 120575814
3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120574232
N-[2-[7-[4-(4-cyanophenyl)phenyl]heptanoylamino]cyclohexyl]-7-[4-(4-methylphenyl)phenyl]heptanamide
CID 20670438
2-(4-methylphenoxy)-N-(2-methylpiperidin-3-yl)acetamide
CID 120576127
3-[4-(difluoromethoxy)phenyl]-N-(2-methylpiperidin-3-yl)propanamide
CID 120574157
2-(2,5-dimethylphenyl)-N-(2-methylpiperidin-3-yl)acetamide
CID 79041660
5-methoxy-N-(2-methylpiperidin-3-yl)pentanamide;hydrochloride
CID 120575880
4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)butanamide
CID 120576336
N-(2-methylpiperidin-3-yl)hex-5-enamide
CID 120576314
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)acetamide
CID 120574349

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide?
The IUPAC name of 5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide (CID 120576475) is 5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide?
The canonical SMILES for 5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide is Cc1ccc(CCCCC(=O)NC2CCCNC2C)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide?
The InChIKey is ZBZNJZZIBFBLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-9-11-16(12-10-14)6-3-4-8-18(21)20-17-7-5-13-19-15(17)2/h9-12,15,17,19H,3-8,13H2,1-2H3,(H,20,21).
What are the key properties of 5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide?
5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide has a molecular weight of 288.44 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide is sourced from PubChem (CID 120576475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).