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

C16H24N2O — CID 1149647

IUPACN-(3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
SMILESCc1cccc(NC(=O)CCN2CCC(C)CC2)c1
InChIInChI=1S/C16H24N2O/c1-13-6-9-18(10-7-13)11-8-16(19)17-15-5-3-4-14(2)12-15/h3-5,12-13H,6-11H2,1-2H3,(H,17,19)
InChIKeyUWGZVSOWUNRBSB-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.06
Rot. Bonds4

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

N-(3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide (PubChem CID 1149647) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
PubChem CID1149647
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
SMILESCc1cccc(NC(=O)CCN2CCC(C)CC2)c1
InChIInChI=1S/C16H24N2O/c1-13-6-9-18(10-7-13)11-8-16(19)17-15-5-3-4-14(2)12-15/h3-5,12-13H,6-11H2,1-2H3,(H,17,19)
InChIKeyUWGZVSOWUNRBSB-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide (CID 1149647) is N-(3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide is Cc1cccc(NC(=O)CCN2CCC(C)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The InChIKey is UWGZVSOWUNRBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-6-9-18(10-7-13)11-8-16(19)17-15-5-3-4-14(2)12-15/h3-5,12-13H,6-11H2,1-2H3,(H,17,19).
What are the key properties of N-(3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
N-(3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide has a molecular weight of 260.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 1149647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).