N-(3,5-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide

C17H26N2O — CID 110857468

IUPACN-(3,5-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
SMILESCc1cc(C)cc(NC(=O)CCC2CCN(C)CC2)c1
InChIInChI=1S/C17H26N2O/c1-13-10-14(2)12-16(11-13)18-17(20)5-4-15-6-8-19(3)9-7-15/h10-12,15H,4-9H2,1-3H3,(H,18,20)
InChIKeyWHDAXOOQAQFKTN-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.36
Rot. Bonds4

About N-(3,5-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide

N-(3,5-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide (PubChem CID 110857468) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
PubChem CID110857468
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(3,5-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
SMILESCc1cc(C)cc(NC(=O)CCC2CCN(C)CC2)c1
InChIInChI=1S/C17H26N2O/c1-13-10-14(2)12-16(11-13)18-17(20)5-4-15-6-8-19(3)9-7-15/h10-12,15H,4-9H2,1-3H3,(H,18,20)
InChIKeyWHDAXOOQAQFKTN-UHFFFAOYSA-N
XLogP3.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110857210
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110863362
N-(2-chlorophenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110858773
N-(3-bromo-5-methylphenyl)-3-piperidin-4-ylpropanamide
CID 107583461
N-(3,5-dimethylphenyl)-3-(3,5-dioxopyrazolidin-4-yl)propanamide
CID 110703727
N-(5-bromo-2-pyridinyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 115274071
3-cyclopentyl-N-[3-[(dimethylamino)methyl]-5-methylphenyl]propanamide
CID 71908020
N-(3,5-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771509
N-(3-bromo-5-methylphenyl)-3-(1,1-dioxothiolan-3-yl)propanamide
CID 110426523
N-(3,5-dimethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 2901262
N-(3,5-dimethylphenyl)-3-thiomorpholin-4-ylpropanamide
CID 91837660
N-(3,5-dimethylphenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 771548

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide (CID 110857468) is N-(3,5-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide is Cc1cc(C)cc(NC(=O)CCC2CCN(C)CC2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is WHDAXOOQAQFKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-10-14(2)12-16(11-13)18-17(20)5-4-15-6-8-19(3)9-7-15/h10-12,15H,4-9H2,1-3H3,(H,18,20).
What are the key properties of N-(3,5-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide?
N-(3,5-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 274.41 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 110857468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).