1-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one

C17H27N3O2 — CID 86896760

IUPAC1-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
SMILESCCN1CCN(C2CCN(C(=O)CCc3ccco3)C2)CC1
InChIInChI=1S/C17H27N3O2/c1-2-18-9-11-19(12-10-18)15-7-8-20(14-15)17(21)6-5-16-4-3-13-22-16/h3-4,13,15H,2,5-12,14H2,1H3
InChIKeyAJQDYDMDPVGIPG-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.45
Rot. Bonds5

About 1-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one

1-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one (PubChem CID 86896760) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
PubChem CID86896760
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
SMILESCCN1CCN(C2CCN(C(=O)CCc3ccco3)C2)CC1
InChIInChI=1S/C17H27N3O2/c1-2-18-9-11-19(12-10-18)15-7-8-20(14-15)17(21)6-5-16-4-3-13-22-16/h3-4,13,15H,2,5-12,14H2,1H3
InChIKeyAJQDYDMDPVGIPG-UHFFFAOYSA-N
XLogP1.45
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(furan-2-yl)propan-1-one
CID 114509981
1-(3-bromo-4-methylpiperidin-1-yl)-3-(furan-2-yl)propan-1-one
CID 102961987
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 62062665
[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 7026554
N-[1-[1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 128968158
3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 54923480
1-[3-(2-aminoethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 114802131
1-[3-(aminomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 55210563
2-[1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]acetic acid
CID 62689381
1-[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 25450628
(2S)-2-amino-1-[(3R)-3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-phenylethanone
CID 99852464
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)acetamide
CID 113118002

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one?
The IUPAC name of 1-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one (CID 86896760) is 1-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one.
What is the SMILES notation for 1-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one?
The canonical SMILES for 1-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one is CCN1CCN(C2CCN(C(=O)CCc3ccco3)C2)CC1.
What is the InChIKey of 1-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one?
The InChIKey is AJQDYDMDPVGIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-2-18-9-11-19(12-10-18)15-7-8-20(14-15)17(21)6-5-16-4-3-13-22-16/h3-4,13,15H,2,5-12,14H2,1H3.
What are the key properties of 1-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one?
1-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one has a molecular weight of 305.42 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one is sourced from PubChem (CID 86896760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).