2-ethyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)butan-1-one

C15H28N2O — CID 115269613

IUPAC2-ethyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)butan-1-one
SMILESCCC(CC)C(=O)N1CCC(C2CCNC2)CC1
InChIInChI=1S/C15H28N2O/c1-3-12(4-2)15(18)17-9-6-13(7-10-17)14-5-8-16-11-14/h12-14,16H,3-11H2,1-2H3
InChIKeyXEDGYIZTOVXIPD-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.27
Rot. Bonds4

About 2-ethyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)butan-1-one

2-ethyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)butan-1-one (PubChem CID 115269613) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-ethyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)butan-1-one
PubChem CID115269613
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-ethyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)butan-1-one
SMILESCCC(CC)C(=O)N1CCC(C2CCNC2)CC1
InChIInChI=1S/C15H28N2O/c1-3-12(4-2)15(18)17-9-6-13(7-10-17)14-5-8-16-11-14/h12-14,16H,3-11H2,1-2H3
InChIKeyXEDGYIZTOVXIPD-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone
CID 115276433
1-[4-(1-aminoethyl)piperidin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 119519463
2-ethyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 113003024
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-ethylbutan-1-one
CID 113005988
2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one
CID 82756442
N,N-diethyl-1-(2-ethylbutanoyl)piperidine-4-carboxamide
CID 113005259
2-ethyl-1-(2-piperidin-4-ylazepan-1-yl)butan-1-one
CID 64611265
ethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate
CID 4294885
1-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)propan-1-one
CID 130578177
1-(1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-2-yl)propan-1-one
CID 130577913
1-(4-cyclopentylpiperazin-1-yl)-2-ethylbutan-1-one
CID 110708879
2-ethyl-1-[3-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 62371308

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)butan-1-one?
The IUPAC name of 2-ethyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)butan-1-one (CID 115269613) is 2-ethyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 2-ethyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 2-ethyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)butan-1-one is CCC(CC)C(=O)N1CCC(C2CCNC2)CC1.
What is the InChIKey of 2-ethyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)butan-1-one?
The InChIKey is XEDGYIZTOVXIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-12(4-2)15(18)17-9-6-13(7-10-17)14-5-8-16-11-14/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 2-ethyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)butan-1-one?
2-ethyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)butan-1-one has a molecular weight of 252.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 115269613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).