4-(cyclohexanecarbonyl)-1-ethyl-6-phenylpiperazin-2-one

C19H26N2O2 — CID 3065204

IUPAC4-(cyclohexanecarbonyl)-1-ethyl-6-phenylpiperazin-2-one
SMILESCCN1C(=O)CN(C(=O)C2CCCCC2)CC1c1ccccc1
InChIInChI=1S/C19H26N2O2/c1-2-21-17(15-9-5-3-6-10-15)13-20(14-18(21)22)19(23)16-11-7-4-8-12-16/h3,5-6,9-10,16-17H,2,4,7-8,11-14H2,1H3
InChIKeyXUZAAPNQMAKRFC-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.00
Rot. Bonds3

About 4-(cyclohexanecarbonyl)-1-ethyl-6-phenylpiperazin-2-one

4-(cyclohexanecarbonyl)-1-ethyl-6-phenylpiperazin-2-one (PubChem CID 3065204) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-(cyclohexanecarbonyl)-1-ethyl-6-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-(cyclohexanecarbonyl)-1-ethyl-6-phenylpiperazin-2-one
PubChem CID3065204
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name4-(cyclohexanecarbonyl)-1-ethyl-6-phenylpiperazin-2-one
SMILESCCN1C(=O)CN(C(=O)C2CCCCC2)CC1c1ccccc1
InChIInChI=1S/C19H26N2O2/c1-2-21-17(15-9-5-3-6-10-15)13-20(14-18(21)22)19(23)16-11-7-4-8-12-16/h3,5-6,9-10,16-17H,2,4,7-8,11-14H2,1H3
InChIKeyXUZAAPNQMAKRFC-UHFFFAOYSA-N
XLogP3.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonyl)-1-ethyl-6-phenylpiperazin-2-one?
The IUPAC name of 4-(cyclohexanecarbonyl)-1-ethyl-6-phenylpiperazin-2-one (CID 3065204) is 4-(cyclohexanecarbonyl)-1-ethyl-6-phenylpiperazin-2-one.
What is the SMILES notation for 4-(cyclohexanecarbonyl)-1-ethyl-6-phenylpiperazin-2-one?
The canonical SMILES for 4-(cyclohexanecarbonyl)-1-ethyl-6-phenylpiperazin-2-one is CCN1C(=O)CN(C(=O)C2CCCCC2)CC1c1ccccc1.
What is the InChIKey of 4-(cyclohexanecarbonyl)-1-ethyl-6-phenylpiperazin-2-one?
The InChIKey is XUZAAPNQMAKRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-2-21-17(15-9-5-3-6-10-15)13-20(14-18(21)22)19(23)16-11-7-4-8-12-16/h3,5-6,9-10,16-17H,2,4,7-8,11-14H2,1H3.
What are the key properties of 4-(cyclohexanecarbonyl)-1-ethyl-6-phenylpiperazin-2-one?
4-(cyclohexanecarbonyl)-1-ethyl-6-phenylpiperazin-2-one has a molecular weight of 314.43 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonyl)-1-ethyl-6-phenylpiperazin-2-one is sourced from PubChem (CID 3065204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).