N-methyl-3-(3-methylphenyl)-N-(2-piperidin-4-ylethyl)propanamide

C18H28N2O — CID 62366566

IUPACN-methyl-3-(3-methylphenyl)-N-(2-piperidin-4-ylethyl)propanamide
SMILESCc1cccc(CCC(=O)N(C)CCC2CCNCC2)c1
InChIInChI=1S/C18H28N2O/c1-15-4-3-5-17(14-15)6-7-18(21)20(2)13-10-16-8-11-19-12-9-16/h3-5,14,16,19H,6-13H2,1-2H3
InChIKeyUVKHIYHLUMKFAA-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.78
Rot. Bonds6

About N-methyl-3-(3-methylphenyl)-N-(2-piperidin-4-ylethyl)propanamide

N-methyl-3-(3-methylphenyl)-N-(2-piperidin-4-ylethyl)propanamide (PubChem CID 62366566) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-methyl-3-(3-methylphenyl)-N-(2-piperidin-4-ylethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(3-methylphenyl)-N-(2-piperidin-4-ylethyl)propanamide
PubChem CID62366566
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-methyl-3-(3-methylphenyl)-N-(2-piperidin-4-ylethyl)propanamide
SMILESCc1cccc(CCC(=O)N(C)CCC2CCNCC2)c1
InChIInChI=1S/C18H28N2O/c1-15-4-3-5-17(14-15)6-7-18(21)20(2)13-10-16-8-11-19-12-9-16/h3-5,14,16,19H,6-13H2,1-2H3
InChIKeyUVKHIYHLUMKFAA-UHFFFAOYSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-4-ylpropanamide
CID 62210732
N-ethyl-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
CID 62365720
3-(3-methylphenyl)-N-(pyrrolidin-3-ylmethyl)propanamide
CID 80563288
N,3-dimethyl-N-(2-piperidin-4-ylethyl)benzenesulfonamide
CID 60914377
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-3-(3-methylphenyl)propanamide
CID 115272703
N-methyl-N-[2-(3-methylphenyl)ethyl]pentanamide
CID 23577992
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-(3-methylphenyl)propanamide
CID 62366416
N-ethyl-N-(3-methylphenyl)-3-piperidin-4-ylpropanamide
CID 62212377
3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 61411542
N-(2-chlorocyclohexyl)-N-methyl-3-(3-methylphenyl)propanamide
CID 102638215
N-methyl-2-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 63265575
N-methyl-3-(3-methylphenyl)-N-propan-2-ylpropanamide
CID 78844007

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methylphenyl)-N-(2-piperidin-4-ylethyl)propanamide?
The IUPAC name of N-methyl-3-(3-methylphenyl)-N-(2-piperidin-4-ylethyl)propanamide (CID 62366566) is N-methyl-3-(3-methylphenyl)-N-(2-piperidin-4-ylethyl)propanamide.
What is the SMILES notation for N-methyl-3-(3-methylphenyl)-N-(2-piperidin-4-ylethyl)propanamide?
The canonical SMILES for N-methyl-3-(3-methylphenyl)-N-(2-piperidin-4-ylethyl)propanamide is Cc1cccc(CCC(=O)N(C)CCC2CCNCC2)c1.
What is the InChIKey of N-methyl-3-(3-methylphenyl)-N-(2-piperidin-4-ylethyl)propanamide?
The InChIKey is UVKHIYHLUMKFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15-4-3-5-17(14-15)6-7-18(21)20(2)13-10-16-8-11-19-12-9-16/h3-5,14,16,19H,6-13H2,1-2H3.
What are the key properties of N-methyl-3-(3-methylphenyl)-N-(2-piperidin-4-ylethyl)propanamide?
N-methyl-3-(3-methylphenyl)-N-(2-piperidin-4-ylethyl)propanamide has a molecular weight of 288.44 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methylphenyl)-N-(2-piperidin-4-ylethyl)propanamide is sourced from PubChem (CID 62366566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).