3-N-cyclohexyl-1-N-(oxan-4-yl)piperidine-1,3-dicarboxamide

C18H31N3O3 — CID 71936022

IUPAC3-N-cyclohexyl-1-N-(oxan-4-yl)piperidine-1,3-dicarboxamide
SMILESO=C(NC1CCCCC1)C1CCCN(C(=O)NC2CCOCC2)C1
InChIInChI=1S/C18H31N3O3/c22-17(19-15-6-2-1-3-7-15)14-5-4-10-21(13-14)18(23)20-16-8-11-24-12-9-16/h14-16H,1-13H2,(H,19,22)(H,20,23)
InChIKeyJMXBXZHAHYNMNA-UHFFFAOYSA-N
MW337.46 g/mol
LogP2.04
Rot. Bonds3

About 3-N-cyclohexyl-1-N-(oxan-4-yl)piperidine-1,3-dicarboxamide

3-N-cyclohexyl-1-N-(oxan-4-yl)piperidine-1,3-dicarboxamide (PubChem CID 71936022) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 3-N-cyclohexyl-1-N-(oxan-4-yl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-cyclohexyl-1-N-(oxan-4-yl)piperidine-1,3-dicarboxamide
PubChem CID71936022
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name3-N-cyclohexyl-1-N-(oxan-4-yl)piperidine-1,3-dicarboxamide
SMILESO=C(NC1CCCCC1)C1CCCN(C(=O)NC2CCOCC2)C1
InChIInChI=1S/C18H31N3O3/c22-17(19-15-6-2-1-3-7-15)14-5-4-10-21(13-14)18(23)20-16-8-11-24-12-9-16/h14-16H,1-13H2,(H,19,22)(H,20,23)
InChIKeyJMXBXZHAHYNMNA-UHFFFAOYSA-N
XLogP2.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-cyclohexyl-1-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 51055483
(3R)-1-N-cyclohexyl-3-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 7435356
1-N-cyclopentyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide;hydrochloride
CID 119449955
N-cyclohexyl-3-morpholin-4-ylpiperidine-1-carboxamide
CID 45248209
1-N-cyclobutyl-3-N-methylpiperidine-1,3-dicarboxamide
CID 113239797
3-N-cyclooctyl-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 166212919
4-(cyclohexanecarbonylamino)-N-cyclohexylpiperidine-1-carboxamide
CID 3218389
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
1-N-cyclopentyl-3-N-[2-(methylamino)ethyl]piperidine-1,3-dicarboxamide
CID 119500364
N-cyclohexyl-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 22552797
4-(cyclobutanecarbonylamino)-N-cyclopentylpiperidine-1-carboxamide
CID 110822528
(3R)-1-(oxan-3-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81120821

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclohexyl-1-N-(oxan-4-yl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-cyclohexyl-1-N-(oxan-4-yl)piperidine-1,3-dicarboxamide (CID 71936022) is 3-N-cyclohexyl-1-N-(oxan-4-yl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-cyclohexyl-1-N-(oxan-4-yl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-cyclohexyl-1-N-(oxan-4-yl)piperidine-1,3-dicarboxamide is O=C(NC1CCCCC1)C1CCCN(C(=O)NC2CCOCC2)C1.
What is the InChIKey of 3-N-cyclohexyl-1-N-(oxan-4-yl)piperidine-1,3-dicarboxamide?
The InChIKey is JMXBXZHAHYNMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c22-17(19-15-6-2-1-3-7-15)14-5-4-10-21(13-14)18(23)20-16-8-11-24-12-9-16/h14-16H,1-13H2,(H,19,22)(H,20,23).
What are the key properties of 3-N-cyclohexyl-1-N-(oxan-4-yl)piperidine-1,3-dicarboxamide?
3-N-cyclohexyl-1-N-(oxan-4-yl)piperidine-1,3-dicarboxamide has a molecular weight of 337.46 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclohexyl-1-N-(oxan-4-yl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 71936022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).