N-[(1R)-1-(2,4-dimethylphenyl)propyl]-2-(1-methylpiperidin-4-yl)acetamide

C19H30N2O — CID 95397588

IUPACN-[(1R)-1-(2,4-dimethylphenyl)propyl]-2-(1-methylpiperidin-4-yl)acetamide
SMILESCC[C@@H](NC(=O)CC1CCN(C)CC1)c1ccc(C)cc1C
InChIInChI=1S/C19H30N2O/c1-5-18(17-7-6-14(2)12-15(17)3)20-19(22)13-16-8-10-21(4)11-9-16/h6-7,12,16,18H,5,8-11,13H2,1-4H3,(H,20,22)/t18-/m1/s1
InChIKeyJJHKAKGWSYMJAV-GOSISDBHSA-N
MW302.46 g/mol
LogP3.60
Rot. Bonds5

About N-[(1R)-1-(2,4-dimethylphenyl)propyl]-2-(1-methylpiperidin-4-yl)acetamide

N-[(1R)-1-(2,4-dimethylphenyl)propyl]-2-(1-methylpiperidin-4-yl)acetamide (PubChem CID 95397588) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dimethylphenyl)propyl]-2-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dimethylphenyl)propyl]-2-(1-methylpiperidin-4-yl)acetamide
PubChem CID95397588
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-[(1R)-1-(2,4-dimethylphenyl)propyl]-2-(1-methylpiperidin-4-yl)acetamide
SMILESCC[C@@H](NC(=O)CC1CCN(C)CC1)c1ccc(C)cc1C
InChIInChI=1S/C19H30N2O/c1-5-18(17-7-6-14(2)12-15(17)3)20-19(22)13-16-8-10-21(4)11-9-16/h6-7,12,16,18H,5,8-11,13H2,1-4H3,(H,20,22)/t18-/m1/s1
InChIKeyJJHKAKGWSYMJAV-GOSISDBHSA-N
XLogP3.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2,4-dimethylphenyl)propyl]-1-methylpiperidine-4-carboxamide
CID 99970775
N-(2,4-dimethylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969538
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 94014092
N-[1-(2,4-dimethylphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 133167103
N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylphenyl)propanamide
CID 132650390
N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 132652315
N-[1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-4-carboxamide
CID 132649676
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 132660242
(3S)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125076664
2-(4-chlorophenyl)sulfanyl-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 132652855
(3S)-1-(benzenesulfonyl)-N-[(1S)-1-(2,4-dimethylphenyl)propyl]piperidine-3-carboxamide
CID 125072492
N-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110857210

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dimethylphenyl)propyl]-2-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of N-[(1R)-1-(2,4-dimethylphenyl)propyl]-2-(1-methylpiperidin-4-yl)acetamide (CID 95397588) is N-[(1R)-1-(2,4-dimethylphenyl)propyl]-2-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dimethylphenyl)propyl]-2-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(2,4-dimethylphenyl)propyl]-2-(1-methylpiperidin-4-yl)acetamide is CC[C@@H](NC(=O)CC1CCN(C)CC1)c1ccc(C)cc1C.
What is the InChIKey of N-[(1R)-1-(2,4-dimethylphenyl)propyl]-2-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is JJHKAKGWSYMJAV-GOSISDBHSA-N. The full InChI is InChI=1S/C19H30N2O/c1-5-18(17-7-6-14(2)12-15(17)3)20-19(22)13-16-8-10-21(4)11-9-16/h6-7,12,16,18H,5,8-11,13H2,1-4H3,(H,20,22)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dimethylphenyl)propyl]-2-(1-methylpiperidin-4-yl)acetamide?
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-2-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 302.46 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dimethylphenyl)propyl]-2-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 95397588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).