[4-(cyclohexanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclohexylmethanone

C20H34N2O2 — CID 2932777

IUPAC[4-(cyclohexanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclohexylmethanone
SMILESCC1CN(C(=O)C2CCCCC2)C(C)CN1C(=O)C1CCCCC1
InChIInChI=1S/C20H34N2O2/c1-15-13-22(20(24)18-11-7-4-8-12-18)16(2)14-21(15)19(23)17-9-5-3-6-10-17/h15-18H,3-14H2,1-2H3
InChIKeyXBBCGVBLJDTZFW-UHFFFAOYSA-N
MW334.50 g/mol
LogP3.59
Rot. Bonds2

About [4-(cyclohexanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclohexylmethanone

[4-(cyclohexanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclohexylmethanone (PubChem CID 2932777) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is [4-(cyclohexanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[4-(cyclohexanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclohexylmethanone
PubChem CID2932777
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name[4-(cyclohexanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclohexylmethanone
SMILESCC1CN(C(=O)C2CCCCC2)C(C)CN1C(=O)C1CCCCC1
InChIInChI=1S/C20H34N2O2/c1-15-13-22(20(24)18-11-7-4-8-12-18)16(2)14-21(15)19(23)17-9-5-3-6-10-17/h15-18H,3-14H2,1-2H3
InChIKeyXBBCGVBLJDTZFW-UHFFFAOYSA-N
XLogP3.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclohexylmethanone?
The IUPAC name of [4-(cyclohexanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclohexylmethanone (CID 2932777) is [4-(cyclohexanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclohexylmethanone.
What is the SMILES notation for [4-(cyclohexanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclohexylmethanone?
The canonical SMILES for [4-(cyclohexanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclohexylmethanone is CC1CN(C(=O)C2CCCCC2)C(C)CN1C(=O)C1CCCCC1.
What is the InChIKey of [4-(cyclohexanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclohexylmethanone?
The InChIKey is XBBCGVBLJDTZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-15-13-22(20(24)18-11-7-4-8-12-18)16(2)14-21(15)19(23)17-9-5-3-6-10-17/h15-18H,3-14H2,1-2H3.
What are the key properties of [4-(cyclohexanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclohexylmethanone?
[4-(cyclohexanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclohexylmethanone has a molecular weight of 334.50 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclohexylmethanone is sourced from PubChem (CID 2932777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).