(3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide

C23H28N2O2 — CID 94082819

IUPAC(3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3cc(C)ccc3C)C2)c1
InChIInChI=1S/C23H28N2O2/c1-15-7-8-18(4)21(13-15)24-22(26)19-6-5-9-25(14-19)23(27)20-11-16(2)10-17(3)12-20/h7-8,10-13,19H,5-6,9,14H2,1-4H3,(H,24,26)/t19-/m1/s1
InChIKeyDAHLJXHGVAAIBW-LJQANCHMSA-N
MW364.49 g/mol
LogP4.41
Rot. Bonds3

About (3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide

(3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide (PubChem CID 94082819) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
PubChem CID94082819
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3cc(C)ccc3C)C2)c1
InChIInChI=1S/C23H28N2O2/c1-15-7-8-18(4)21(13-15)24-22(26)19-6-5-9-25(14-19)23(27)20-11-16(2)10-17(3)12-20/h7-8,10-13,19H,5-6,9,14H2,1-4H3,(H,24,26)/t19-/m1/s1
InChIKeyDAHLJXHGVAAIBW-LJQANCHMSA-N
XLogP4.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(4-chloro-2-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082776
(3S)-N-(2-bromophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94010502
(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082860
N-(2-aminophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119422003
N-(2,4-dimethoxyphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 50803885
(3S)-N-(4-bromo-3-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082833
1-(3,5-dimethylbenzoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 46491452
(3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 51937253
1-(3,5-dimethylbenzoyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]piperidine-3-carbohydrazide
CID 55786936
1-(3,5-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 46489523
1-(3,4-dichlorobenzoyl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
CID 55631455
N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 46650461

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide (CID 94082819) is (3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide is Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3cc(C)ccc3C)C2)c1.
What is the InChIKey of (3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide?
The InChIKey is DAHLJXHGVAAIBW-LJQANCHMSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-15-7-8-18(4)21(13-15)24-22(26)19-6-5-9-25(14-19)23(27)20-11-16(2)10-17(3)12-20/h7-8,10-13,19H,5-6,9,14H2,1-4H3,(H,24,26)/t19-/m1/s1.
What are the key properties of (3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide?
(3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 94082819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).