2-cyclobutyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone

C15H26N2O — CID 115276433

IUPAC2-cyclobutyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone
SMILESO=C(CC1CCC1)N1CCC(C2CCNC2)CC1
InChIInChI=1S/C15H26N2O/c18-15(10-12-2-1-3-12)17-8-5-13(6-9-17)14-4-7-16-11-14/h12-14,16H,1-11H2
InChIKeyXVMJVKSIEUYBKJ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.02
Rot. Bonds3

About 2-cyclobutyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone

2-cyclobutyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone (PubChem CID 115276433) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-cyclobutyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclobutyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone
PubChem CID115276433
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-cyclobutyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone
SMILESO=C(CC1CCC1)N1CCC(C2CCNC2)CC1
InChIInChI=1S/C15H26N2O/c18-15(10-12-2-1-3-12)17-8-5-13(6-9-17)14-4-7-16-11-14/h12-14,16H,1-11H2
InChIKeyXVMJVKSIEUYBKJ-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 119767012
2-cyclobutyl-1-(4-piperidin-3-ylpiperazin-1-yl)ethanone
CID 115277281
1-(4-methoxypiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62690713
2-cyclopentyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 50988752
1-(1-oxo-1,4-thiazinan-4-yl)-2-piperidin-3-ylethanone
CID 62691071
2-ethyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)butan-1-one
CID 115269613
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-piperidin-3-ylethanone
CID 106835886
1-(4-ethoxypiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62691409
methyl 1-(2-piperidin-3-ylacetyl)piperidine-4-carboxylate
CID 62674333
1-(3-azaspiro[5.5]undecan-3-yl)-2-piperidin-3-ylethanone
CID 62932288
2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
CID 103706244
2-cyclobutyl-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119560451

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-cyclobutyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone (CID 115276433) is 2-cyclobutyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-cyclobutyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-cyclobutyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone is O=C(CC1CCC1)N1CCC(C2CCNC2)CC1.
What is the InChIKey of 2-cyclobutyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone?
The InChIKey is XVMJVKSIEUYBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c18-15(10-12-2-1-3-12)17-8-5-13(6-9-17)14-4-7-16-11-14/h12-14,16H,1-11H2.
What are the key properties of 2-cyclobutyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone?
2-cyclobutyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone has a molecular weight of 250.39 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 115276433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).