(3R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-3-carboxamide

C17H26N2O — CID 95396939

IUPAC(3R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-3-carboxamide
SMILESCc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(C)C2)c(C)c1
InChIInChI=1S/C17H26N2O/c1-12-7-8-16(13(2)10-12)14(3)18-17(20)15-6-5-9-19(4)11-15/h7-8,10,14-15H,5-6,9,11H2,1-4H3,(H,18,20)/t14-,15-/m1/s1
InChIKeyADQVPTVCHMSGJQ-HUUCEWRRSA-N
MW274.41 g/mol
LogP2.82
Rot. Bonds3

About (3R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-3-carboxamide

(3R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-3-carboxamide (PubChem CID 95396939) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (3R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-3-carboxamide
PubChem CID95396939
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(3R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-3-carboxamide
SMILESCc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(C)C2)c(C)c1
InChIInChI=1S/C17H26N2O/c1-12-7-8-16(13(2)10-12)14(3)18-17(20)15-6-5-9-19(4)11-15/h7-8,10,14-15H,5-6,9,11H2,1-4H3,(H,18,20)/t14-,15-/m1/s1
InChIKeyADQVPTVCHMSGJQ-HUUCEWRRSA-N
XLogP2.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-4-carboxamide
CID 132649676
(3R)-1-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 95904024
(3S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 92889709
N-[1-(2,4-dimethylphenyl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 50785680
(3S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 92889710
(3R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 93488028
(3R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 34177914
(3S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 38012103
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-3-carboxamide
CID 53282828
(3S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125071806
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 28631738
(3R)-1-methyl-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine-3-carboxamide
CID 95706399

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-3-carboxamide (CID 95396939) is (3R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-3-carboxamide is Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(C)C2)c(C)c1.
What is the InChIKey of (3R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-3-carboxamide?
The InChIKey is ADQVPTVCHMSGJQ-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-7-8-16(13(2)10-12)14(3)18-17(20)15-6-5-9-19(4)11-15/h7-8,10,14-15H,5-6,9,11H2,1-4H3,(H,18,20)/t14-,15-/m1/s1.
What are the key properties of (3R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-3-carboxamide?
(3R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-3-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95396939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).