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

C13H23N3O2 — CID 53017590

IUPACN-cyclohexyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide
SMILESCC1(C)C(=O)NCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C13H23N3O2/c1-13(2)11(17)14-8-9-16(13)12(18)15-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyRISAYPBGIBZGHD-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.24
Rot. Bonds1

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

N-cyclohexyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide (PubChem CID 53017590) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-cyclohexyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide
PubChem CID53017590
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-cyclohexyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide
SMILESCC1(C)C(=O)NCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C13H23N3O2/c1-13(2)11(17)14-8-9-16(13)12(18)15-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyRISAYPBGIBZGHD-UHFFFAOYSA-N
XLogP1.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide (CID 53017590) is N-cyclohexyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide is CC1(C)C(=O)NCCN1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide?
The InChIKey is RISAYPBGIBZGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-13(2)11(17)14-8-9-16(13)12(18)15-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N-cyclohexyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide?
N-cyclohexyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 53017590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).