N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-(4-propylphenyl)acetamide;hydrochloride

C25H35ClN2O — CID 23512950

IUPACN-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-(4-propylphenyl)acetamide;hydrochloride
SMILESCCCc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(C)CC2)cc1.Cl
InChIInChI=1S/C25H34N2O.ClH/c1-4-5-21-10-12-22(13-11-21)18-25(28)27(24-14-16-26(3)17-15-24)19-23-8-6-20(2)7-9-23;/h6-13,24H,4-5,14-19H2,1-3H3;1H
InChIKeyGZOGYJISIDUWJC-UHFFFAOYSA-N
MW415.02 g/mol
LogP5.03
Rot. Bonds7

About N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-(4-propylphenyl)acetamide;hydrochloride

N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-(4-propylphenyl)acetamide;hydrochloride (PubChem CID 23512950) has the molecular formula C25H35ClN2O and a molecular weight of 415.02 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-(4-propylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-(4-propylphenyl)acetamide;hydrochloride
PubChem CID23512950
Molecular FormulaC25H35ClN2O
Molecular Weight415.02 g/mol
Exact Mass414.24
IUPAC NameN-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-(4-propylphenyl)acetamide;hydrochloride
SMILESCCCc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(C)CC2)cc1.Cl
InChIInChI=1S/C25H34N2O.ClH/c1-4-5-21-10-12-22(13-11-21)18-25(28)27(24-14-16-26(3)17-15-24)19-23-8-6-20(2)7-9-23;/h6-13,24H,4-5,14-19H2,1-3H3;1H
InChIKeyGZOGYJISIDUWJC-UHFFFAOYSA-N
XLogP5.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.02
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-iodophenyl)-N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)acetamide
CID 68956341
methyl 4-[[[2-(4-methylphenyl)acetyl]-(1-methylpiperidin-4-yl)amino]methyl]benzoate
CID 69013818
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide
CID 78814100
N-[[4-(aminomethyl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)-2-pyridin-4-ylacetamide
CID 174663762
N,1-dimethyl-N-[(4-methylphenyl)methyl]piperidin-4-amine
CID 792378
2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 19114652
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide
CID 10139738
1-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-ethylpiperidine-4-carboxamide
CID 87016268
4-[[2-[ethylsulfonyl(2-methylpropyl)amino]acetyl]-[(4-methylphenyl)methyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 46108588
N-cyclopropyl-N-[(4-methylphenyl)methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 32590164
2-[ethylsulfonyl(2-methylpropyl)amino]-N-(1-ethylsulfonylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 46108642
N-cyclopentyl-2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 91831351

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-(4-propylphenyl)acetamide;hydrochloride?
The IUPAC name of N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-(4-propylphenyl)acetamide;hydrochloride (CID 23512950) is N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-(4-propylphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-(4-propylphenyl)acetamide;hydrochloride?
The canonical SMILES for N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-(4-propylphenyl)acetamide;hydrochloride is CCCc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(C)CC2)cc1.Cl.
What is the InChIKey of N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-(4-propylphenyl)acetamide;hydrochloride?
The InChIKey is GZOGYJISIDUWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O.ClH/c1-4-5-21-10-12-22(13-11-21)18-25(28)27(24-14-16-26(3)17-15-24)19-23-8-6-20(2)7-9-23;/h6-13,24H,4-5,14-19H2,1-3H3;1H.
What are the key properties of N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-(4-propylphenyl)acetamide;hydrochloride?
N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-(4-propylphenyl)acetamide;hydrochloride has a molecular weight of 415.02 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-(4-propylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 23512950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).