4-[(3-chlorocyclohexyl)methyl]-N-(1-methyl-6-oxopiperidin-3-yl)piperidine-1-carboxamide

C19H32ClN3O2 — CID 165157058

IUPAC4-[(3-chlorocyclohexyl)methyl]-N-(1-methyl-6-oxopiperidin-3-yl)piperidine-1-carboxamide
SMILESCN1CC(NC(=O)N2CCC(CC3CCCC(Cl)C3)CC2)CCC1=O
InChIInChI=1S/C19H32ClN3O2/c1-22-13-17(5-6-18(22)24)21-19(25)23-9-7-14(8-10-23)11-15-3-2-4-16(20)12-15/h14-17H,2-13H2,1H3,(H,21,25)
InChIKeyIDAFGXNJTKNZDE-UHFFFAOYSA-N
MW369.94 g/mol
LogP3.22
Rot. Bonds3

About 4-[(3-chlorocyclohexyl)methyl]-N-(1-methyl-6-oxopiperidin-3-yl)piperidine-1-carboxamide

4-[(3-chlorocyclohexyl)methyl]-N-(1-methyl-6-oxopiperidin-3-yl)piperidine-1-carboxamide (PubChem CID 165157058) has the molecular formula C19H32ClN3O2 and a molecular weight of 369.94 g/mol. Its IUPAC name is 4-[(3-chlorocyclohexyl)methyl]-N-(1-methyl-6-oxopiperidin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-chlorocyclohexyl)methyl]-N-(1-methyl-6-oxopiperidin-3-yl)piperidine-1-carboxamide
PubChem CID165157058
Molecular FormulaC19H32ClN3O2
Molecular Weight369.94 g/mol
Exact Mass369.22
IUPAC Name4-[(3-chlorocyclohexyl)methyl]-N-(1-methyl-6-oxopiperidin-3-yl)piperidine-1-carboxamide
SMILESCN1CC(NC(=O)N2CCC(CC3CCCC(Cl)C3)CC2)CCC1=O
InChIInChI=1S/C19H32ClN3O2/c1-22-13-17(5-6-18(22)24)21-19(25)23-9-7-14(8-10-23)11-15-3-2-4-16(20)12-15/h14-17H,2-13H2,1H3,(H,21,25)
InChIKeyIDAFGXNJTKNZDE-UHFFFAOYSA-N
XLogP3.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.94
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorocyclohexyl)methyl]-N-(1-methyl-6-oxopiperidin-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[(3-chlorocyclohexyl)methyl]-N-(1-methyl-6-oxopiperidin-3-yl)piperidine-1-carboxamide (CID 165157058) is 4-[(3-chlorocyclohexyl)methyl]-N-(1-methyl-6-oxopiperidin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(3-chlorocyclohexyl)methyl]-N-(1-methyl-6-oxopiperidin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(3-chlorocyclohexyl)methyl]-N-(1-methyl-6-oxopiperidin-3-yl)piperidine-1-carboxamide is CN1CC(NC(=O)N2CCC(CC3CCCC(Cl)C3)CC2)CCC1=O.
What is the InChIKey of 4-[(3-chlorocyclohexyl)methyl]-N-(1-methyl-6-oxopiperidin-3-yl)piperidine-1-carboxamide?
The InChIKey is IDAFGXNJTKNZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32ClN3O2/c1-22-13-17(5-6-18(22)24)21-19(25)23-9-7-14(8-10-23)11-15-3-2-4-16(20)12-15/h14-17H,2-13H2,1H3,(H,21,25).
What are the key properties of 4-[(3-chlorocyclohexyl)methyl]-N-(1-methyl-6-oxopiperidin-3-yl)piperidine-1-carboxamide?
4-[(3-chlorocyclohexyl)methyl]-N-(1-methyl-6-oxopiperidin-3-yl)piperidine-1-carboxamide has a molecular weight of 369.94 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorocyclohexyl)methyl]-N-(1-methyl-6-oxopiperidin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 165157058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).