N-cyclohexyl-3-oxopiperazine-1-carboxamide

C11H19N3O2 — CID 47108593

IUPACN-cyclohexyl-3-oxopiperazine-1-carboxamide
SMILESO=C1CN(C(=O)NC2CCCCC2)CCN1
InChIInChI=1S/C11H19N3O2/c15-10-8-14(7-6-12-10)11(16)13-9-4-2-1-3-5-9/h9H,1-8H2,(H,12,15)(H,13,16)
InChIKeyMXAGOBWTGPDNGE-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.46
Rot. Bonds1

About N-cyclohexyl-3-oxopiperazine-1-carboxamide

N-cyclohexyl-3-oxopiperazine-1-carboxamide (PubChem CID 47108593) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-cyclohexyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-oxopiperazine-1-carboxamide
PubChem CID47108593
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-cyclohexyl-3-oxopiperazine-1-carboxamide
SMILESO=C1CN(C(=O)NC2CCCCC2)CCN1
InChIInChI=1S/C11H19N3O2/c15-10-8-14(7-6-12-10)11(16)13-9-4-2-1-3-5-9/h9H,1-8H2,(H,12,15)(H,13,16)
InChIKeyMXAGOBWTGPDNGE-UHFFFAOYSA-N
XLogP0.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-3-oxopiperazine-1-carboxamide (CID 47108593) is N-cyclohexyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-3-oxopiperazine-1-carboxamide is O=C1CN(C(=O)NC2CCCCC2)CCN1.
What is the InChIKey of N-cyclohexyl-3-oxopiperazine-1-carboxamide?
The InChIKey is MXAGOBWTGPDNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c15-10-8-14(7-6-12-10)11(16)13-9-4-2-1-3-5-9/h9H,1-8H2,(H,12,15)(H,13,16).
What are the key properties of N-cyclohexyl-3-oxopiperazine-1-carboxamide?
N-cyclohexyl-3-oxopiperazine-1-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 47108593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).