1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone

C16H26N2O2 — CID 39997538

IUPAC1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone
SMILESO=C(CC1CCCC1)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C16H26N2O2/c19-15(12-13-4-1-2-5-13)17-8-10-18(11-9-17)16(20)14-6-3-7-14/h13-14H,1-12H2
InChIKeyMDSFJZCDEUULAR-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.04
Rot. Bonds3

About 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone

1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone (PubChem CID 39997538) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone.

Molecular Properties

Compound Name1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone
PubChem CID39997538
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone
SMILESO=C(CC1CCCC1)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C16H26N2O2/c19-15(12-13-4-1-2-5-13)17-8-10-18(11-9-17)16(20)14-6-3-7-14/h13-14H,1-12H2
InChIKeyMDSFJZCDEUULAR-UHFFFAOYSA-N
XLogP2.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone?
The IUPAC name of 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone (CID 39997538) is 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone.
What is the SMILES notation for 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone?
The canonical SMILES for 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone is O=C(CC1CCCC1)N1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone?
The InChIKey is MDSFJZCDEUULAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c19-15(12-13-4-1-2-5-13)17-8-10-18(11-9-17)16(20)14-6-3-7-14/h13-14H,1-12H2.
What are the key properties of 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone?
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone has a molecular weight of 278.40 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone is sourced from PubChem (CID 39997538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).