4-(cyclohexylmethyl)-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazin-2-one

C17H28N4O3 — CID 45187451

IUPAC4-(cyclohexylmethyl)-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazin-2-one
SMILESO=C1CN(C(=O)CC2C(=O)NCCN2CC2CCCCC2)CCN1
InChIInChI=1S/C17H28N4O3/c22-15-12-21(9-6-18-15)16(23)10-14-17(24)19-7-8-20(14)11-13-4-2-1-3-5-13/h13-14H,1-12H2,(H,18,22)(H,19,24)
InChIKeyCKICSNHKAHOEMQ-UHFFFAOYSA-N
MW336.44 g/mol
LogP-0.28
Rot. Bonds4

About 4-(cyclohexylmethyl)-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazin-2-one

4-(cyclohexylmethyl)-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazin-2-one (PubChem CID 45187451) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazin-2-one
PubChem CID45187451
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name4-(cyclohexylmethyl)-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazin-2-one
SMILESO=C1CN(C(=O)CC2C(=O)NCCN2CC2CCCCC2)CCN1
InChIInChI=1S/C17H28N4O3/c22-15-12-21(9-6-18-15)16(23)10-14-17(24)19-7-8-20(14)11-13-4-2-1-3-5-13/h13-14H,1-12H2,(H,18,22)(H,19,24)
InChIKeyCKICSNHKAHOEMQ-UHFFFAOYSA-N
XLogP-0.28
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazin-2-one?
The IUPAC name of 4-(cyclohexylmethyl)-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazin-2-one (CID 45187451) is 4-(cyclohexylmethyl)-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazin-2-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazin-2-one?
The canonical SMILES for 4-(cyclohexylmethyl)-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazin-2-one is O=C1CN(C(=O)CC2C(=O)NCCN2CC2CCCCC2)CCN1.
What is the InChIKey of 4-(cyclohexylmethyl)-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazin-2-one?
The InChIKey is CKICSNHKAHOEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c22-15-12-21(9-6-18-15)16(23)10-14-17(24)19-7-8-20(14)11-13-4-2-1-3-5-13/h13-14H,1-12H2,(H,18,22)(H,19,24).
What are the key properties of 4-(cyclohexylmethyl)-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazin-2-one?
4-(cyclohexylmethyl)-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazin-2-one has a molecular weight of 336.44 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazin-2-one is sourced from PubChem (CID 45187451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).