5-[(3,4-dimethylcyclohexyl)methyl]-N-(1-methyl-6-oxodiazinan-3-yl)piperidine-2-carboxamide

C20H36N4O2 — CID 165157024

IUPAC5-[(3,4-dimethylcyclohexyl)methyl]-N-(1-methyl-6-oxodiazinan-3-yl)piperidine-2-carboxamide
SMILESCC1CCC(CC2CCC(C(=O)NC3CCC(=O)N(C)N3)NC2)CC1C
InChIInChI=1S/C20H36N4O2/c1-13-4-5-15(10-14(13)2)11-16-6-7-17(21-12-16)20(26)22-18-8-9-19(25)24(3)23-18/h13-18,21,23H,4-12H2,1-3H3,(H,22,26)
InChIKeyKHWJJQXRFZNJQI-UHFFFAOYSA-N
MW364.53 g/mol
LogP2.02
Rot. Bonds4

About 5-[(3,4-dimethylcyclohexyl)methyl]-N-(1-methyl-6-oxodiazinan-3-yl)piperidine-2-carboxamide

5-[(3,4-dimethylcyclohexyl)methyl]-N-(1-methyl-6-oxodiazinan-3-yl)piperidine-2-carboxamide (PubChem CID 165157024) has the molecular formula C20H36N4O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is 5-[(3,4-dimethylcyclohexyl)methyl]-N-(1-methyl-6-oxodiazinan-3-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name5-[(3,4-dimethylcyclohexyl)methyl]-N-(1-methyl-6-oxodiazinan-3-yl)piperidine-2-carboxamide
PubChem CID165157024
Molecular FormulaC20H36N4O2
Molecular Weight364.53 g/mol
Exact Mass364.28
IUPAC Name5-[(3,4-dimethylcyclohexyl)methyl]-N-(1-methyl-6-oxodiazinan-3-yl)piperidine-2-carboxamide
SMILESCC1CCC(CC2CCC(C(=O)NC3CCC(=O)N(C)N3)NC2)CC1C
InChIInChI=1S/C20H36N4O2/c1-13-4-5-15(10-14(13)2)11-16-6-7-17(21-12-16)20(26)22-18-8-9-19(25)24(3)23-18/h13-18,21,23H,4-12H2,1-3H3,(H,22,26)
InChIKeyKHWJJQXRFZNJQI-UHFFFAOYSA-N
XLogP2.02
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylcyclohexyl)methyl]-N-(1-methyl-6-oxodiazinan-3-yl)piperidine-2-carboxamide?
The IUPAC name of 5-[(3,4-dimethylcyclohexyl)methyl]-N-(1-methyl-6-oxodiazinan-3-yl)piperidine-2-carboxamide (CID 165157024) is 5-[(3,4-dimethylcyclohexyl)methyl]-N-(1-methyl-6-oxodiazinan-3-yl)piperidine-2-carboxamide.
What is the SMILES notation for 5-[(3,4-dimethylcyclohexyl)methyl]-N-(1-methyl-6-oxodiazinan-3-yl)piperidine-2-carboxamide?
The canonical SMILES for 5-[(3,4-dimethylcyclohexyl)methyl]-N-(1-methyl-6-oxodiazinan-3-yl)piperidine-2-carboxamide is CC1CCC(CC2CCC(C(=O)NC3CCC(=O)N(C)N3)NC2)CC1C.
What is the InChIKey of 5-[(3,4-dimethylcyclohexyl)methyl]-N-(1-methyl-6-oxodiazinan-3-yl)piperidine-2-carboxamide?
The InChIKey is KHWJJQXRFZNJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O2/c1-13-4-5-15(10-14(13)2)11-16-6-7-17(21-12-16)20(26)22-18-8-9-19(25)24(3)23-18/h13-18,21,23H,4-12H2,1-3H3,(H,22,26).
What are the key properties of 5-[(3,4-dimethylcyclohexyl)methyl]-N-(1-methyl-6-oxodiazinan-3-yl)piperidine-2-carboxamide?
5-[(3,4-dimethylcyclohexyl)methyl]-N-(1-methyl-6-oxodiazinan-3-yl)piperidine-2-carboxamide has a molecular weight of 364.53 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylcyclohexyl)methyl]-N-(1-methyl-6-oxodiazinan-3-yl)piperidine-2-carboxamide is sourced from PubChem (CID 165157024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).