N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)propanamide

C25H34N2O — CID 46054953

IUPACN-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)propanamide
SMILESCCC(=O)N(c1ccc(CC)cc1)C1CCN(Cc2ccc(C)c(C)c2)CC1
InChIInChI=1S/C25H34N2O/c1-5-21-9-11-23(12-10-21)27(25(28)6-2)24-13-15-26(16-14-24)18-22-8-7-19(3)20(4)17-22/h7-12,17,24H,5-6,13-16,18H2,1-4H3
InChIKeyNMZSPBUTVLDZDG-UHFFFAOYSA-N
MW378.56 g/mol
LogP5.27
Rot. Bonds6

About N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)propanamide

N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)propanamide (PubChem CID 46054953) has the molecular formula C25H34N2O and a molecular weight of 378.56 g/mol. Its IUPAC name is N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound NameN-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)propanamide
PubChem CID46054953
Molecular FormulaC25H34N2O
Molecular Weight378.56 g/mol
Exact Mass378.27
IUPAC NameN-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)propanamide
SMILESCCC(=O)N(c1ccc(CC)cc1)C1CCN(Cc2ccc(C)c(C)c2)CC1
InChIInChI=1S/C25H34N2O/c1-5-21-9-11-23(12-10-21)27(25(28)6-2)24-13-15-26(16-14-24)18-22-8-7-19(3)20(4)17-22/h7-12,17,24H,5-6,13-16,18H2,1-4H3
InChIKeyNMZSPBUTVLDZDG-UHFFFAOYSA-N
XLogP5.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide
CID 42858521
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-3-methylbutanamide
CID 42858323
N-(4-ethylphenyl)-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide
CID 42858289
N-(4-methoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 42853290
N-(4-ethylphenyl)-N-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide
CID 42858416
N-(4-ethylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 46054712
N-(4-ethylphenyl)-N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]butanamide
CID 46054963
N-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 46052023
N-(1-benzylpiperidin-4-yl)-N-(4-cyclohexylphenyl)propanamide
CID 90316604
N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)butanamide
CID 46054921
N-(4-ethylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide
CID 46054717
N-(3-fluoro-4-methylphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]butanamide
CID 46048329

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)propanamide?
The IUPAC name of N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)propanamide (CID 46054953) is N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)propanamide?
The canonical SMILES for N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)propanamide is CCC(=O)N(c1ccc(CC)cc1)C1CCN(Cc2ccc(C)c(C)c2)CC1.
What is the InChIKey of N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)propanamide?
The InChIKey is NMZSPBUTVLDZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O/c1-5-21-9-11-23(12-10-21)27(25(28)6-2)24-13-15-26(16-14-24)18-22-8-7-19(3)20(4)17-22/h7-12,17,24H,5-6,13-16,18H2,1-4H3.
What are the key properties of N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)propanamide?
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)propanamide has a molecular weight of 378.56 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 46054953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).