1-(4-cyclopropylpiperazin-1-yl)-3-(3-fluorophenyl)propan-1-one

C16H21FN2O — CID 86853553

IUPAC1-(4-cyclopropylpiperazin-1-yl)-3-(3-fluorophenyl)propan-1-one
SMILESO=C(CCc1cccc(F)c1)N1CCN(C2CC2)CC1
InChIInChI=1S/C16H21FN2O/c17-14-3-1-2-13(12-14)4-7-16(20)19-10-8-18(9-11-19)15-5-6-15/h1-3,12,15H,4-11H2
InChIKeySFEVPCRHAVBEEO-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.06
Rot. Bonds4

About 1-(4-cyclopropylpiperazin-1-yl)-3-(3-fluorophenyl)propan-1-one

1-(4-cyclopropylpiperazin-1-yl)-3-(3-fluorophenyl)propan-1-one (PubChem CID 86853553) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is 1-(4-cyclopropylpiperazin-1-yl)-3-(3-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-cyclopropylpiperazin-1-yl)-3-(3-fluorophenyl)propan-1-one
PubChem CID86853553
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name1-(4-cyclopropylpiperazin-1-yl)-3-(3-fluorophenyl)propan-1-one
SMILESO=C(CCc1cccc(F)c1)N1CCN(C2CC2)CC1
InChIInChI=1S/C16H21FN2O/c17-14-3-1-2-13(12-14)4-7-16(20)19-10-8-18(9-11-19)15-5-6-15/h1-3,12,15H,4-11H2
InChIKeySFEVPCRHAVBEEO-UHFFFAOYSA-N
XLogP2.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110670217
1-(4-cyclopropylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110708530
3-(3-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110604595
1-[4-[3-(3-fluorophenyl)propanoyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110604587
3-(3-fluorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110887276
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 110726946
N-cyclopentyl-4-[3-(3-fluorophenyl)propanoyl]-1,4-diazepane-1-carboxamide
CID 110811802
3-(3-fluorophenyl)-1-[4-(3-thiophen-2-ylpropanoyl)piperazin-1-yl]propan-1-one
CID 110604610
1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-3-(3-fluorophenyl)propan-1-one
CID 110604596
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)propan-1-one
CID 87046447
1-(4-benzoyl-1,4-diazepan-1-yl)-3-(3-fluorophenyl)propan-1-one
CID 110798188
1-[4-[3-(3-fluorophenyl)propanoyl]-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110797745

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylpiperazin-1-yl)-3-(3-fluorophenyl)propan-1-one?
The IUPAC name of 1-(4-cyclopropylpiperazin-1-yl)-3-(3-fluorophenyl)propan-1-one (CID 86853553) is 1-(4-cyclopropylpiperazin-1-yl)-3-(3-fluorophenyl)propan-1-one.
What is the SMILES notation for 1-(4-cyclopropylpiperazin-1-yl)-3-(3-fluorophenyl)propan-1-one?
The canonical SMILES for 1-(4-cyclopropylpiperazin-1-yl)-3-(3-fluorophenyl)propan-1-one is O=C(CCc1cccc(F)c1)N1CCN(C2CC2)CC1.
What is the InChIKey of 1-(4-cyclopropylpiperazin-1-yl)-3-(3-fluorophenyl)propan-1-one?
The InChIKey is SFEVPCRHAVBEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c17-14-3-1-2-13(12-14)4-7-16(20)19-10-8-18(9-11-19)15-5-6-15/h1-3,12,15H,4-11H2.
What are the key properties of 1-(4-cyclopropylpiperazin-1-yl)-3-(3-fluorophenyl)propan-1-one?
1-(4-cyclopropylpiperazin-1-yl)-3-(3-fluorophenyl)propan-1-one has a molecular weight of 276.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylpiperazin-1-yl)-3-(3-fluorophenyl)propan-1-one is sourced from PubChem (CID 86853553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).