N-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-4-ylpropanamide

C17H26N2O — CID 62210732

IUPACN-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-4-ylpropanamide
SMILESCc1cccc(CN(C)C(=O)CCC2CCNCC2)c1
InChIInChI=1S/C17H26N2O/c1-14-4-3-5-16(12-14)13-19(2)17(20)7-6-15-8-10-18-11-9-15/h3-5,12,15,18H,6-11,13H2,1-2H3
InChIKeyFBTJVJDSPMUUSE-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.73
Rot. Bonds5

About N-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-4-ylpropanamide

N-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-4-ylpropanamide (PubChem CID 62210732) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-4-ylpropanamide
PubChem CID62210732
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-4-ylpropanamide
SMILESCc1cccc(CN(C)C(=O)CCC2CCNCC2)c1
InChIInChI=1S/C17H26N2O/c1-14-4-3-5-16(12-14)13-19(2)17(20)7-6-15-8-10-18-11-9-15/h3-5,12,15,18H,6-11,13H2,1-2H3
InChIKeyFBTJVJDSPMUUSE-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

N-methyl-3-(3-methylphenyl)-N-(2-piperidin-4-ylethyl)propanamide
CID 62366566
N-[(3,5-dichlorophenyl)methyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 62211961
N-ethyl-N-(3-methylphenyl)-3-piperidin-4-ylpropanamide
CID 62212377
2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 82125717
N-methyl-N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61365638
N-[(2-methoxyphenyl)methyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 62212494
tert-butyl 4-[methyl-[(3-methylphenyl)methyl]amino]-4-oxobutanoate
CID 106707109
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 62210566
N,2-dimethyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylpropanamide
CID 80547402
N-benzyl-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119669861
(3R)-N-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 81129550
N-methyl-N-[(3-methylphenyl)methyl]-2-morpholin-2-ylacetamide
CID 66429127

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-4-ylpropanamide?
The IUPAC name of N-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-4-ylpropanamide (CID 62210732) is N-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-4-ylpropanamide is Cc1cccc(CN(C)C(=O)CCC2CCNCC2)c1.
What is the InChIKey of N-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-4-ylpropanamide?
The InChIKey is FBTJVJDSPMUUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-4-3-5-16(12-14)13-19(2)17(20)7-6-15-8-10-18-11-9-15/h3-5,12,15,18H,6-11,13H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-4-ylpropanamide?
N-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-4-ylpropanamide 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-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 62210732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).