2-cyclopropyl-1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]propan-1-one

C19H27FN2O — CID 110608661

IUPAC2-cyclopropyl-1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCN(CCCc2cccc(F)c2)CC1)C1CC1
InChIInChI=1S/C19H27FN2O/c1-15(17-7-8-17)19(23)22-12-10-21(11-13-22)9-3-5-16-4-2-6-18(20)14-16/h2,4,6,14-15,17H,3,5,7-13H2,1H3
InChIKeyKLABKNHFONAYRE-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.95
Rot. Bonds6

About 2-cyclopropyl-1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]propan-1-one

2-cyclopropyl-1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]propan-1-one (PubChem CID 110608661) has the molecular formula C19H27FN2O and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]propan-1-one
PubChem CID110608661
Molecular FormulaC19H27FN2O
Molecular Weight318.44 g/mol
Exact Mass318.21
IUPAC Name2-cyclopropyl-1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCN(CCCc2cccc(F)c2)CC1)C1CC1
InChIInChI=1S/C19H27FN2O/c1-15(17-7-8-17)19(23)22-12-10-21(11-13-22)9-3-5-16-4-2-6-18(20)14-16/h2,4,6,14-15,17H,3,5,7-13H2,1H3
InChIKeyKLABKNHFONAYRE-UHFFFAOYSA-N
XLogP2.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110602338
[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 110608660
1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 110602349
1-[(3-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazine;oxalic acid
CID 90483959
1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-4-pyridin-3-ylbutan-1-one
CID 110608671
1-benzylsulfonyl-4-[3-(3-fluorophenyl)propyl]piperazine
CID 110413546
3-(3-fluorophenyl)-N-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]propanamide
CID 110625625
(2R)-3-(3-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one
CID 95607196
1-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113073822
N-[2-(3-fluorophenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32796393
2-[(3-fluorophenyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81020336
4-[3-(3-chlorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110413921

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-cyclopropyl-1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]propan-1-one (CID 110608661) is 2-cyclopropyl-1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-cyclopropyl-1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-cyclopropyl-1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]propan-1-one is CC(C(=O)N1CCN(CCCc2cccc(F)c2)CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]propan-1-one?
The InChIKey is KLABKNHFONAYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O/c1-15(17-7-8-17)19(23)22-12-10-21(11-13-22)9-3-5-16-4-2-6-18(20)14-16/h2,4,6,14-15,17H,3,5,7-13H2,1H3.
What are the key properties of 2-cyclopropyl-1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]propan-1-one?
2-cyclopropyl-1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]propan-1-one has a molecular weight of 318.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110608661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).