N-ethyl-N-(3-methylphenyl)-3-piperidin-4-ylpropanamide

C17H26N2O — CID 62212377

IUPACN-ethyl-N-(3-methylphenyl)-3-piperidin-4-ylpropanamide
SMILESCCN(C(=O)CCC1CCNCC1)c1cccc(C)c1
InChIInChI=1S/C17H26N2O/c1-3-19(16-6-4-5-14(2)13-16)17(20)8-7-15-9-11-18-12-10-15/h4-6,13,15,18H,3,7-12H2,1-2H3
InChIKeySNGGYZRKFCDOKK-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.13
Rot. Bonds5

About N-ethyl-N-(3-methylphenyl)-3-piperidin-4-ylpropanamide

N-ethyl-N-(3-methylphenyl)-3-piperidin-4-ylpropanamide (PubChem CID 62212377) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-3-piperidin-4-ylpropanamide
PubChem CID62212377
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-ethyl-N-(3-methylphenyl)-3-piperidin-4-ylpropanamide
SMILESCCN(C(=O)CCC1CCNCC1)c1cccc(C)c1
InChIInChI=1S/C17H26N2O/c1-3-19(16-6-4-5-14(2)13-16)17(20)8-7-15-9-11-18-12-10-15/h4-6,13,15,18H,3,7-12H2,1-2H3
InChIKeySNGGYZRKFCDOKK-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(3-methylphenyl)-3-piperidin-2-ylpropanamide
CID 62212541
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
N-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-4-ylpropanamide
CID 62210732
N-(3-aminophenyl)-3-cyclopentyl-N-ethylpropanamide
CID 63229916
N,4-diethyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 63128862
ethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate
CID 60737731
N-ethyl-2-methyl-N-(3-methylphenyl)-2-piperidin-3-ylpropanamide
CID 83198721
N-cyclopropyl-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108941153
N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119311457
N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-pyrrolidin-3-ylpropanamide
CID 107734533
3-[cyclopentyl(methylsulfonyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 113137357
N-ethyl-N-(3-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 110295025

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-3-piperidin-4-ylpropanamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-3-piperidin-4-ylpropanamide (CID 62212377) is N-ethyl-N-(3-methylphenyl)-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-3-piperidin-4-ylpropanamide is CCN(C(=O)CCC1CCNCC1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-3-piperidin-4-ylpropanamide?
The InChIKey is SNGGYZRKFCDOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-19(16-6-4-5-14(2)13-16)17(20)8-7-15-9-11-18-12-10-15/h4-6,13,15,18H,3,7-12H2,1-2H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-3-piperidin-4-ylpropanamide?
N-ethyl-N-(3-methylphenyl)-3-piperidin-4-ylpropanamide has a molecular weight of 274.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 62212377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).