N-cyclohexyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide

C13H23N3O2 — CID 110746859

IUPACN-cyclohexyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide
SMILESCC1C(=O)N(C)CCN1C(=O)NC1CCCCC1
InChIInChI=1S/C13H23N3O2/c1-10-12(17)15(2)8-9-16(10)13(18)14-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,14,18)
InChIKeyYANSKTOEDFIEGK-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.19
Rot. Bonds1

About N-cyclohexyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide

N-cyclohexyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide (PubChem CID 110746859) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-cyclohexyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide
PubChem CID110746859
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-cyclohexyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide
SMILESCC1C(=O)N(C)CCN1C(=O)NC1CCCCC1
InChIInChI=1S/C13H23N3O2/c1-10-12(17)15(2)8-9-16(10)13(18)14-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,14,18)
InChIKeyYANSKTOEDFIEGK-UHFFFAOYSA-N
XLogP1.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide (CID 110746859) is N-cyclohexyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide is CC1C(=O)N(C)CCN1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide?
The InChIKey is YANSKTOEDFIEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10-12(17)15(2)8-9-16(10)13(18)14-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,14,18).
What are the key properties of N-cyclohexyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide?
N-cyclohexyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 110746859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).