N-[1-(3,4-dimethylphenyl)-5-methylpiperidin-3-yl]-2-methylpropanamide

C18H28N2O — CID 112542777

IUPACN-[1-(3,4-dimethylphenyl)-5-methylpiperidin-3-yl]-2-methylpropanamide
SMILESCc1ccc(N2CC(C)CC(NC(=O)C(C)C)C2)cc1C
InChIInChI=1S/C18H28N2O/c1-12(2)18(21)19-16-8-13(3)10-20(11-16)17-7-6-14(4)15(5)9-17/h6-7,9,12-13,16H,8,10-11H2,1-5H3,(H,19,21)
InChIKeyKCZIOFMVXRECTL-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.29
Rot. Bonds3

About N-[1-(3,4-dimethylphenyl)-5-methylpiperidin-3-yl]-2-methylpropanamide

N-[1-(3,4-dimethylphenyl)-5-methylpiperidin-3-yl]-2-methylpropanamide (PubChem CID 112542777) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)-5-methylpiperidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-5-methylpiperidin-3-yl]-2-methylpropanamide
PubChem CID112542777
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[1-(3,4-dimethylphenyl)-5-methylpiperidin-3-yl]-2-methylpropanamide
SMILESCc1ccc(N2CC(C)CC(NC(=O)C(C)C)C2)cc1C
InChIInChI=1S/C18H28N2O/c1-12(2)18(21)19-16-8-13(3)10-20(11-16)17-7-6-14(4)15(5)9-17/h6-7,9,12-13,16H,8,10-11H2,1-5H3,(H,19,21)
InChIKeyKCZIOFMVXRECTL-UHFFFAOYSA-N
XLogP3.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethylphenyl)-5-methyl-N-propylpiperidin-3-amine
CID 83991093
ethyl N-(5-methyl-1-phenylpiperidin-3-yl)carbamate
CID 112543896
N-[1-(4-fluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542322
1-(4-tert-butyl-3-methylphenyl)-3,5-dimethylpiperidine
CID 129258259
N-[[4-(3,5-dimethylpiperidin-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 62136029
1-(3,4-difluorophenyl)-N,5-dimethylpiperidin-3-amine
CID 83989825
2-(3-hydroxyazetidin-1-yl)-N-[(3R,5S)-5-methyl-1-(8-methylquinoxalin-5-yl)piperidin-3-yl]acetamide
CID 166777898
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 110478479
1-(3,4-dimethylphenyl)-2-(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 43227858
2-(3,4-dimethylphenyl)-N-(3-methylcyclopentyl)acetamide
CID 114550146
(2S,3S)-3-(1H-benzimidazol-2-yl)-N-[(3R)-1-(3,4-dimethylphenyl)pyrrolidin-3-yl]-2-methylbutanamide
CID 164972635
1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 7543094

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)-5-methylpiperidin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-5-methylpiperidin-3-yl]-2-methylpropanamide (CID 112542777) is N-[1-(3,4-dimethylphenyl)-5-methylpiperidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-5-methylpiperidin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-5-methylpiperidin-3-yl]-2-methylpropanamide is Cc1ccc(N2CC(C)CC(NC(=O)C(C)C)C2)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-5-methylpiperidin-3-yl]-2-methylpropanamide?
The InChIKey is KCZIOFMVXRECTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-12(2)18(21)19-16-8-13(3)10-20(11-16)17-7-6-14(4)15(5)9-17/h6-7,9,12-13,16H,8,10-11H2,1-5H3,(H,19,21).
What are the key properties of N-[1-(3,4-dimethylphenyl)-5-methylpiperidin-3-yl]-2-methylpropanamide?
N-[1-(3,4-dimethylphenyl)-5-methylpiperidin-3-yl]-2-methylpropanamide has a molecular weight of 288.44 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)-5-methylpiperidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 112542777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).