(2R)-N-(cyclohexen-1-yl)-3,3-dimethyl-1-(2-methylpropanoyl)piperidine-2-carboxamide

C18H30N2O2 — CID 101005623

IUPAC(2R)-N-(cyclohexen-1-yl)-3,3-dimethyl-1-(2-methylpropanoyl)piperidine-2-carboxamide
SMILESCC(C)C(=O)N1CCCC(C)(C)[C@@H]1C(=O)NC1=CCCCC1
InChIInChI=1S/C18H30N2O2/c1-13(2)17(22)20-12-8-11-18(3,4)15(20)16(21)19-14-9-6-5-7-10-14/h9,13,15H,5-8,10-12H2,1-4H3,(H,19,21)/t15-/m0/s1
InChIKeyHZDSOAKDJKCOLT-HNNXBMFYSA-N
MW306.45 g/mol
LogP3.23
Rot. Bonds3

About (2R)-N-(cyclohexen-1-yl)-3,3-dimethyl-1-(2-methylpropanoyl)piperidine-2-carboxamide

(2R)-N-(cyclohexen-1-yl)-3,3-dimethyl-1-(2-methylpropanoyl)piperidine-2-carboxamide (PubChem CID 101005623) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is (2R)-N-(cyclohexen-1-yl)-3,3-dimethyl-1-(2-methylpropanoyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(cyclohexen-1-yl)-3,3-dimethyl-1-(2-methylpropanoyl)piperidine-2-carboxamide
PubChem CID101005623
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name(2R)-N-(cyclohexen-1-yl)-3,3-dimethyl-1-(2-methylpropanoyl)piperidine-2-carboxamide
SMILESCC(C)C(=O)N1CCCC(C)(C)[C@@H]1C(=O)NC1=CCCCC1
InChIInChI=1S/C18H30N2O2/c1-13(2)17(22)20-12-8-11-18(3,4)15(20)16(21)19-14-9-6-5-7-10-14/h9,13,15H,5-8,10-12H2,1-4H3,(H,19,21)/t15-/m0/s1
InChIKeyHZDSOAKDJKCOLT-HNNXBMFYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclohexen-1-yl)-3,3-dimethyl-1-(2-methylpropanoyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-(cyclohexen-1-yl)-3,3-dimethyl-1-(2-methylpropanoyl)piperidine-2-carboxamide (CID 101005623) is (2R)-N-(cyclohexen-1-yl)-3,3-dimethyl-1-(2-methylpropanoyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(cyclohexen-1-yl)-3,3-dimethyl-1-(2-methylpropanoyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(cyclohexen-1-yl)-3,3-dimethyl-1-(2-methylpropanoyl)piperidine-2-carboxamide is CC(C)C(=O)N1CCCC(C)(C)[C@@H]1C(=O)NC1=CCCCC1.
What is the InChIKey of (2R)-N-(cyclohexen-1-yl)-3,3-dimethyl-1-(2-methylpropanoyl)piperidine-2-carboxamide?
The InChIKey is HZDSOAKDJKCOLT-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-13(2)17(22)20-12-8-11-18(3,4)15(20)16(21)19-14-9-6-5-7-10-14/h9,13,15H,5-8,10-12H2,1-4H3,(H,19,21)/t15-/m0/s1.
What are the key properties of (2R)-N-(cyclohexen-1-yl)-3,3-dimethyl-1-(2-methylpropanoyl)piperidine-2-carboxamide?
(2R)-N-(cyclohexen-1-yl)-3,3-dimethyl-1-(2-methylpropanoyl)piperidine-2-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclohexen-1-yl)-3,3-dimethyl-1-(2-methylpropanoyl)piperidine-2-carboxamide is sourced from PubChem (CID 101005623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).