3-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide

C17H28N4O3 — CID 131918987

IUPAC3-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide
SMILESNC(=O)N1CCCC(C(=O)N2CCN(C3CCCCC3)C(=O)C2)C1
InChIInChI=1S/C17H28N4O3/c18-17(24)20-8-4-5-13(11-20)16(23)19-9-10-21(15(22)12-19)14-6-2-1-3-7-14/h13-14H,1-12H2,(H2,18,24)
InChIKeyGXMLWPKHGLYVMC-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.78
Rot. Bonds2

About 3-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide

3-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide (PubChem CID 131918987) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide
PubChem CID131918987
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name3-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide
SMILESNC(=O)N1CCCC(C(=O)N2CCN(C3CCCCC3)C(=O)C2)C1
InChIInChI=1S/C17H28N4O3/c18-17(24)20-8-4-5-13(11-20)16(23)19-9-10-21(15(22)12-19)14-6-2-1-3-7-14/h13-14H,1-12H2,(H2,18,24)
InChIKeyGXMLWPKHGLYVMC-UHFFFAOYSA-N
XLogP0.78
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide?
The IUPAC name of 3-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide (CID 131918987) is 3-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide is NC(=O)N1CCCC(C(=O)N2CCN(C3CCCCC3)C(=O)C2)C1.
What is the InChIKey of 3-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide?
The InChIKey is GXMLWPKHGLYVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c18-17(24)20-8-4-5-13(11-20)16(23)19-9-10-21(15(22)12-19)14-6-2-1-3-7-14/h13-14H,1-12H2,(H2,18,24).
What are the key properties of 3-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide?
3-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 131918987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).