N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)propanamide

C17H26N2O — CID 109019797

IUPACN-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)propanamide
SMILESCc1ccc(CNC(=O)CCN2CCCC(C)C2)cc1
InChIInChI=1S/C17H26N2O/c1-14-5-7-16(8-6-14)12-18-17(20)9-11-19-10-3-4-15(2)13-19/h5-8,15H,3-4,9-13H2,1-2H3,(H,18,20)
InChIKeyKEVSLGVKSCRVSH-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.73
Rot. Bonds5

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

N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)propanamide (PubChem CID 109019797) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)propanamide
PubChem CID109019797
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)propanamide
SMILESCc1ccc(CNC(=O)CCN2CCCC(C)C2)cc1
InChIInChI=1S/C17H26N2O/c1-14-5-7-16(8-6-14)12-18-17(20)9-11-19-10-3-4-15(2)13-19/h5-8,15H,3-4,9-13H2,1-2H3,(H,18,20)
InChIKeyKEVSLGVKSCRVSH-UHFFFAOYSA-N
XLogP2.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43917349
N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 8903596
N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108518107
N-[(4-methylphenyl)methyl]-2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 55362722
N-(3-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 739962
N-[(4-methylphenyl)methyl]-3-[(2R)-2-(trifluoromethyl)morpholin-4-yl]propanamide
CID 95554541
3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 50958038
3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide
CID 739976
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide;hydrochloride
CID 24747038
3-(3,4-dimethylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
CID 133199627
3-(furan-2-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 46470241

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)propanamide (CID 109019797) is N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)propanamide is Cc1ccc(CNC(=O)CCN2CCCC(C)C2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)propanamide?
The InChIKey is KEVSLGVKSCRVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-5-7-16(8-6-14)12-18-17(20)9-11-19-10-3-4-15(2)13-19/h5-8,15H,3-4,9-13H2,1-2H3,(H,18,20).
What are the key properties of N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)propanamide?
N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)propanamide has a molecular weight of 274.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 109019797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).