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

C23H34N2O2 — CID 94082784

IUPAC(3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NC3CCCCCCC3)C2)c1
InChIInChI=1S/C23H34N2O2/c1-17-13-18(2)15-20(14-17)23(27)25-12-8-9-19(16-25)22(26)24-21-10-6-4-3-5-7-11-21/h13-15,19,21H,3-12,16H2,1-2H3,(H,24,26)/t19-/m1/s1
InChIKeyBBVMLMHUAKXNPB-LJQANCHMSA-N
MW370.54 g/mol
LogP4.38
Rot. Bonds3

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

(3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide (PubChem CID 94082784) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is (3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
PubChem CID94082784
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name(3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NC3CCCCCCC3)C2)c1
InChIInChI=1S/C23H34N2O2/c1-17-13-18(2)15-20(14-17)23(27)25-12-8-9-19(16-25)22(26)24-21-10-6-4-3-5-7-11-21/h13-15,19,21H,3-12,16H2,1-2H3,(H,24,26)/t19-/m1/s1
InChIKeyBBVMLMHUAKXNPB-LJQANCHMSA-N
XLogP4.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 50803988
1-(3,5-dimethylbenzoyl)-N-[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]piperidine-3-carboxamide
CID 154852452
1-(3,5-dimethylbenzoyl)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 46488810
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
N-(2-amino-1-cyclohexylethyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119589481
(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082860
1-(3,5-dimethylbenzoyl)-N-[2-(methylamino)ethyl]piperidine-3-carboxamide
CID 119500647
(3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94010550
1-(3,5-dimethylbenzoyl)-N-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 119430235
(3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 94082819
N-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 46384573
1-(3,5-dimethylbenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide
CID 120829554

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide (CID 94082784) is (3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide is Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NC3CCCCCCC3)C2)c1.
What is the InChIKey of (3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
The InChIKey is BBVMLMHUAKXNPB-LJQANCHMSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-17-13-18(2)15-20(14-17)23(27)25-12-8-9-19(16-25)22(26)24-21-10-6-4-3-5-7-11-21/h13-15,19,21H,3-12,16H2,1-2H3,(H,24,26)/t19-/m1/s1.
What are the key properties of (3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
(3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide has a molecular weight of 370.54 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 94082784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).