3-(3-methylphenyl)-N-[(3-methylpiperidin-2-yl)methyl]propanamide

C17H26N2O — CID 63304882

IUPAC3-(3-methylphenyl)-N-[(3-methylpiperidin-2-yl)methyl]propanamide
SMILESCc1cccc(CCC(=O)NCC2NCCCC2C)c1
InChIInChI=1S/C17H26N2O/c1-13-5-3-7-15(11-13)8-9-17(20)19-12-16-14(2)6-4-10-18-16/h3,5,7,11,14,16,18H,4,6,8-10,12H2,1-2H3,(H,19,20)
InChIKeyBXYDJDUDOWFGQP-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.43
Rot. Bonds5

About 3-(3-methylphenyl)-N-[(3-methylpiperidin-2-yl)methyl]propanamide

3-(3-methylphenyl)-N-[(3-methylpiperidin-2-yl)methyl]propanamide (PubChem CID 63304882) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-[(3-methylpiperidin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-[(3-methylpiperidin-2-yl)methyl]propanamide
PubChem CID63304882
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-(3-methylphenyl)-N-[(3-methylpiperidin-2-yl)methyl]propanamide
SMILESCc1cccc(CCC(=O)NCC2NCCCC2C)c1
InChIInChI=1S/C17H26N2O/c1-13-5-3-7-15(11-13)8-9-17(20)19-12-16-14(2)6-4-10-18-16/h3,5,7,11,14,16,18H,4,6,8-10,12H2,1-2H3,(H,19,20)
InChIKeyBXYDJDUDOWFGQP-UHFFFAOYSA-N
XLogP2.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propanamide
CID 104971869
2-(3-fluorophenyl)-N-[(3-methylpiperidin-2-yl)methyl]acetamide
CID 63305010
3-(3-methylphenyl)-N-(pyrrolidin-3-ylmethyl)propanamide
CID 80563288
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(3-methylphenyl)propanamide
CID 65119986
3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110755294
N-[2-(3-methylphenyl)ethyl]-3-piperidin-2-ylpropanamide
CID 62315398
3-cyclopentyl-N-[(3-methylpiperidin-2-yl)methyl]propanamide
CID 55204232
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methylphenyl)propanamide
CID 115362508
N-[2-(3-methylphenyl)ethyl]-3-piperidin-4-yloxypropanamide
CID 63903931
N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylacetamide
CID 62690046
N-[(3-methylpiperidin-2-yl)methyl]acetamide
CID 63305307
N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119709536

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-[(3-methylpiperidin-2-yl)methyl]propanamide?
The IUPAC name of 3-(3-methylphenyl)-N-[(3-methylpiperidin-2-yl)methyl]propanamide (CID 63304882) is 3-(3-methylphenyl)-N-[(3-methylpiperidin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-methylphenyl)-N-[(3-methylpiperidin-2-yl)methyl]propanamide?
The canonical SMILES for 3-(3-methylphenyl)-N-[(3-methylpiperidin-2-yl)methyl]propanamide is Cc1cccc(CCC(=O)NCC2NCCCC2C)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-[(3-methylpiperidin-2-yl)methyl]propanamide?
The InChIKey is BXYDJDUDOWFGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-5-3-7-15(11-13)8-9-17(20)19-12-16-14(2)6-4-10-18-16/h3,5,7,11,14,16,18H,4,6,8-10,12H2,1-2H3,(H,19,20).
What are the key properties of 3-(3-methylphenyl)-N-[(3-methylpiperidin-2-yl)methyl]propanamide?
3-(3-methylphenyl)-N-[(3-methylpiperidin-2-yl)methyl]propanamide has a molecular weight of 274.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-[(3-methylpiperidin-2-yl)methyl]propanamide is sourced from PubChem (CID 63304882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).