2-cyclopropyl-1-(3-piperazin-1-ylazetidin-1-yl)ethanone

C12H21N3O — CID 66201863

IUPAC2-cyclopropyl-1-(3-piperazin-1-ylazetidin-1-yl)ethanone
SMILESO=C(CC1CC1)N1CC(N2CCNCC2)C1
InChIInChI=1S/C12H21N3O/c16-12(7-10-1-2-10)15-8-11(9-15)14-5-3-13-4-6-14/h10-11,13H,1-9H2
InChIKeyDRJGTMCQOZORDE-UHFFFAOYSA-N
MW223.32 g/mol
LogP-0.10
Rot. Bonds3

About 2-cyclopropyl-1-(3-piperazin-1-ylazetidin-1-yl)ethanone

2-cyclopropyl-1-(3-piperazin-1-ylazetidin-1-yl)ethanone (PubChem CID 66201863) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3-piperazin-1-ylazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(3-piperazin-1-ylazetidin-1-yl)ethanone
PubChem CID66201863
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-cyclopropyl-1-(3-piperazin-1-ylazetidin-1-yl)ethanone
SMILESO=C(CC1CC1)N1CC(N2CCNCC2)C1
InChIInChI=1S/C12H21N3O/c16-12(7-10-1-2-10)15-8-11(9-15)14-5-3-13-4-6-14/h10-11,13H,1-9H2
InChIKeyDRJGTMCQOZORDE-UHFFFAOYSA-N
XLogP-0.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120997503
2-(4-methylcyclohexyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120996941
2-cycloheptyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120997204
4,4,4-trifluoro-1-(3-piperazin-1-ylazetidin-1-yl)butan-1-one
CID 66201657
1-[3-(hydroxymethyl)azetidin-1-yl]-2-piperidin-4-ylethanone
CID 107220425
1-[(3aS,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-piperidin-4-ylethanone
CID 129494454
1-(3-piperazin-1-ylazetidin-1-yl)ethanone
CID 59625808
1-[4-(oxan-4-yl)piperazin-1-yl]-2-piperidin-4-ylethanone
CID 131933898
3-cyclobutyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120996967
1-[1-(2-cyclohexylacetyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121154006
4-methoxy-1-(3-piperazin-1-ylazetidin-1-yl)pentan-1-one
CID 113382211
2-(4-fluorophenyl)-1-(3-piperazin-1-ylazetidin-1-yl)ethanone
CID 66195575

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3-piperazin-1-ylazetidin-1-yl)ethanone?
The IUPAC name of 2-cyclopropyl-1-(3-piperazin-1-ylazetidin-1-yl)ethanone (CID 66201863) is 2-cyclopropyl-1-(3-piperazin-1-ylazetidin-1-yl)ethanone.
What is the SMILES notation for 2-cyclopropyl-1-(3-piperazin-1-ylazetidin-1-yl)ethanone?
The canonical SMILES for 2-cyclopropyl-1-(3-piperazin-1-ylazetidin-1-yl)ethanone is O=C(CC1CC1)N1CC(N2CCNCC2)C1.
What is the InChIKey of 2-cyclopropyl-1-(3-piperazin-1-ylazetidin-1-yl)ethanone?
The InChIKey is DRJGTMCQOZORDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c16-12(7-10-1-2-10)15-8-11(9-15)14-5-3-13-4-6-14/h10-11,13H,1-9H2.
What are the key properties of 2-cyclopropyl-1-(3-piperazin-1-ylazetidin-1-yl)ethanone?
2-cyclopropyl-1-(3-piperazin-1-ylazetidin-1-yl)ethanone has a molecular weight of 223.32 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3-piperazin-1-ylazetidin-1-yl)ethanone is sourced from PubChem (CID 66201863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).