1-[4-(cyclopropanecarbonyl)piperazin-1-yl]pentan-1-one

C13H22N2O2 — CID 110346861

IUPAC1-[4-(cyclopropanecarbonyl)piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C13H22N2O2/c1-2-3-4-12(16)14-7-9-15(10-8-14)13(17)11-5-6-11/h11H,2-10H2,1H3
InChIKeyWDOFGKOUDXGOGW-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.26
Rot. Bonds4

About 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]pentan-1-one

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]pentan-1-one (PubChem CID 110346861) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-(cyclopropanecarbonyl)piperazin-1-yl]pentan-1-one
PubChem CID110346861
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[4-(cyclopropanecarbonyl)piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C13H22N2O2/c1-2-3-4-12(16)14-7-9-15(10-8-14)13(17)11-5-6-11/h11H,2-10H2,1H3
InChIKeyWDOFGKOUDXGOGW-UHFFFAOYSA-N
XLogP1.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Piperazine, 1,4-dibutyryl-
CID 205276
Piperazine, 1,4-diisobutyryl-
CID 205897
Piperazine, 1,4-divaleryl-
CID 205870
Piperazine, 1,4-dihexanoyl-
CID 205871
Piperazine, 1,4-diisovaleryl-
CID 205898
1,4-Bis(cyclopropylcarbonyl)-2,5-dimethylpiperazine
CID 4138233
Cyclopropyl(4-ethylpiperazin-1-yl)methanone
CID 5151632
1-(4-Methylpiperazin-1-yl)pentan-1-one
CID 3532020
N-methyl-N-(1-methylpiperidin-4-yl)cyclopropanecarboxamide
CID 40231232
1-(4-Acetylpiperazin-1-yl)-4-methylpentan-1-one
CID 40233421
1-(2-Methylcyclopropanecarbonyl)piperazine hydrochloride
CID 91641391
1-[4-(Cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 776750

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]pentan-1-one (CID 110346861) is 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]pentan-1-one is CCCCC(=O)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]pentan-1-one?
The InChIKey is WDOFGKOUDXGOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-3-4-12(16)14-7-9-15(10-8-14)13(17)11-5-6-11/h11H,2-10H2,1H3.
What are the key properties of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]pentan-1-one?
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]pentan-1-one has a molecular weight of 238.33 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 110346861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).