1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one

C16H27N3O2 — CID 63340908

IUPAC1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
SMILESCCCC(CN)N1CCN(C(=O)CCc2ccco2)CC1
InChIInChI=1S/C16H27N3O2/c1-2-4-14(13-17)18-8-10-19(11-9-18)16(20)7-6-15-5-3-12-21-15/h3,5,12,14H,2,4,6-11,13,17H2,1H3
InChIKeyGPAIRUJWOAVYHR-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.48
Rot. Bonds7

About 1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one

1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one (PubChem CID 63340908) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
PubChem CID63340908
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
SMILESCCCC(CN)N1CCN(C(=O)CCc2ccco2)CC1
InChIInChI=1S/C16H27N3O2/c1-2-4-14(13-17)18-8-10-19(11-9-18)16(20)7-6-15-5-3-12-21-15/h3,5,12,14H,2,4,6-11,13,17H2,1H3
InChIKeyGPAIRUJWOAVYHR-UHFFFAOYSA-N
XLogP1.48
TPSA62.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.48
H-Bond Donors ≤ 51
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-(aminomethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 62062665
1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 63337793
1-[3-(2-aminoethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 114802131
3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 54923480
1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 63340947
1-[3-(aminomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 55210563
2-[4-[3-(furan-2-yl)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77012011
3-(furan-2-yl)-1-(4-hydroxyiminopiperidin-1-yl)propan-1-one
CID 28780592
3-(furan-2-yl)-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 110311024
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 78781102
3-(furan-2-yl)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 38711618

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one?
The IUPAC name of 1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one (CID 63340908) is 1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one?
The canonical SMILES for 1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one is CCCC(CN)N1CCN(C(=O)CCc2ccco2)CC1.
What is the InChIKey of 1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one?
The InChIKey is GPAIRUJWOAVYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-2-4-14(13-17)18-8-10-19(11-9-18)16(20)7-6-15-5-3-12-21-15/h3,5,12,14H,2,4,6-11,13,17H2,1H3.
What are the key properties of 1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one?
1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one has a molecular weight of 293.41 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one is sourced from PubChem (CID 63340908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).