N-cyclohexyl-2-(3-oxopiperazin-1-yl)-N-phenylacetamide

C18H25N3O2 — CID 8962755

IUPACN-cyclohexyl-2-(3-oxopiperazin-1-yl)-N-phenylacetamide
SMILESO=C1CN(CC(=O)N(c2ccccc2)C2CCCCC2)CCN1
InChIInChI=1S/C18H25N3O2/c22-17-13-20(12-11-19-17)14-18(23)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,19,22)
InChIKeyNMQJXZYFOAKPKB-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.78
Rot. Bonds4

About N-cyclohexyl-2-(3-oxopiperazin-1-yl)-N-phenylacetamide

N-cyclohexyl-2-(3-oxopiperazin-1-yl)-N-phenylacetamide (PubChem CID 8962755) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-oxopiperazin-1-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-oxopiperazin-1-yl)-N-phenylacetamide
PubChem CID8962755
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-cyclohexyl-2-(3-oxopiperazin-1-yl)-N-phenylacetamide
SMILESO=C1CN(CC(=O)N(c2ccccc2)C2CCCCC2)CCN1
InChIInChI=1S/C18H25N3O2/c22-17-13-20(12-11-19-17)14-18(23)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,19,22)
InChIKeyNMQJXZYFOAKPKB-UHFFFAOYSA-N
XLogP1.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-oxopiperazin-1-yl)-N-phenylacetamide?
The IUPAC name of N-cyclohexyl-2-(3-oxopiperazin-1-yl)-N-phenylacetamide (CID 8962755) is N-cyclohexyl-2-(3-oxopiperazin-1-yl)-N-phenylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(3-oxopiperazin-1-yl)-N-phenylacetamide?
The canonical SMILES for N-cyclohexyl-2-(3-oxopiperazin-1-yl)-N-phenylacetamide is O=C1CN(CC(=O)N(c2ccccc2)C2CCCCC2)CCN1.
What is the InChIKey of N-cyclohexyl-2-(3-oxopiperazin-1-yl)-N-phenylacetamide?
The InChIKey is NMQJXZYFOAKPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-17-13-20(12-11-19-17)14-18(23)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,19,22).
What are the key properties of N-cyclohexyl-2-(3-oxopiperazin-1-yl)-N-phenylacetamide?
N-cyclohexyl-2-(3-oxopiperazin-1-yl)-N-phenylacetamide has a molecular weight of 315.42 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-oxopiperazin-1-yl)-N-phenylacetamide is sourced from PubChem (CID 8962755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).