N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-4-phenylbutanamide

C26H36N2O — CID 45178746

IUPACN-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-4-phenylbutanamide
SMILESCc1ccccc1CCN1CCCC(CN(C)C(=O)CCCc2ccccc2)C1
InChIInChI=1S/C26H36N2O/c1-22-10-6-7-15-25(22)17-19-28-18-9-14-24(21-28)20-27(2)26(29)16-8-13-23-11-4-3-5-12-23/h3-7,10-12,15,24H,8-9,13-14,16-21H2,1-2H3
InChIKeyDEXLEDUENKTPCE-UHFFFAOYSA-N
MW392.59 g/mol
LogP4.73
Rot. Bonds9

About N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-4-phenylbutanamide

N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-4-phenylbutanamide (PubChem CID 45178746) has the molecular formula C26H36N2O and a molecular weight of 392.59 g/mol. Its IUPAC name is N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-4-phenylbutanamide
PubChem CID45178746
Molecular FormulaC26H36N2O
Molecular Weight392.59 g/mol
Exact Mass392.28
IUPAC NameN-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-4-phenylbutanamide
SMILESCc1ccccc1CCN1CCCC(CN(C)C(=O)CCCc2ccccc2)C1
InChIInChI=1S/C26H36N2O/c1-22-10-6-7-15-25(22)17-19-28-18-9-14-24(21-28)20-27(2)26(29)16-8-13-23-11-4-3-5-12-23/h3-7,10-12,15,24H,8-9,13-14,16-21H2,1-2H3
InChIKeyDEXLEDUENKTPCE-UHFFFAOYSA-N
XLogP4.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-2-pyridin-2-ylacetamide
CID 42292864
N,1-dimethyl-N-[[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]cyclohexane-1-carboxamide
CID 25381076
3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide
CID 42402093
N'-[[(3S)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide
CID 42287360
N'-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide
CID 23723725
ethyl 2-[[methyl-[[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]carbamoyl]amino]acetate
CID 25396315
1-ethyl-N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-2-oxopyridine-4-carboxamide
CID 97284046
N,4-dimethyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 42595998
N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,3-trimethylbenzamide
CID 42195502
3-(2,4-dimethylphenyl)-1-methyl-1-[[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]urea
CID 42593982
N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-morpholin-4-ylpropanamide
CID 26332764
2-ethyl-N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 97276261

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-4-phenylbutanamide?
The IUPAC name of N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-4-phenylbutanamide (CID 45178746) is N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-4-phenylbutanamide.
What is the SMILES notation for N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-4-phenylbutanamide?
The canonical SMILES for N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-4-phenylbutanamide is Cc1ccccc1CCN1CCCC(CN(C)C(=O)CCCc2ccccc2)C1.
What is the InChIKey of N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-4-phenylbutanamide?
The InChIKey is DEXLEDUENKTPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O/c1-22-10-6-7-15-25(22)17-19-28-18-9-14-24(21-28)20-27(2)26(29)16-8-13-23-11-4-3-5-12-23/h3-7,10-12,15,24H,8-9,13-14,16-21H2,1-2H3.
What are the key properties of N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-4-phenylbutanamide?
N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-4-phenylbutanamide has a molecular weight of 392.59 g/mol, XLogP of 4.73, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-4-phenylbutanamide is sourced from PubChem (CID 45178746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).