[4-[3-(3-fluoro-4-methoxyphenyl)propyl]piperazin-1-yl]-(furan-2-yl)methanone

C19H23FN2O3 — CID 86804160

IUPAC[4-[3-(3-fluoro-4-methoxyphenyl)propyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCOc1ccc(CCCN2CCN(C(=O)c3ccco3)CC2)cc1F
InChIInChI=1S/C19H23FN2O3/c1-24-17-7-6-15(14-16(17)20)4-2-8-21-9-11-22(12-10-21)19(23)18-5-3-13-25-18/h3,5-7,13-14H,2,4,8-12H2,1H3
InChIKeyLOUGTIFHPKKAAA-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.82
Rot. Bonds6

About [4-[3-(3-fluoro-4-methoxyphenyl)propyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[3-(3-fluoro-4-methoxyphenyl)propyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 86804160) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is [4-[3-(3-fluoro-4-methoxyphenyl)propyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[3-(3-fluoro-4-methoxyphenyl)propyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID86804160
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name[4-[3-(3-fluoro-4-methoxyphenyl)propyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCOc1ccc(CCCN2CCN(C(=O)c3ccco3)CC2)cc1F
InChIInChI=1S/C19H23FN2O3/c1-24-17-7-6-15(14-16(17)20)4-2-8-21-9-11-22(12-10-21)19(23)18-5-3-13-25-18/h3,5-7,13-14H,2,4,8-12H2,1H3
InChIKeyLOUGTIFHPKKAAA-UHFFFAOYSA-N
XLogP2.82
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-3,4-dimethoxybenzamide
CID 110397663
N-(5-chloro-2-methoxyphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 37376096
N-[5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 35799673
(2,6-dimethoxyphenyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110399351
furan-2-yl-[4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 23793021
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 109030197
furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 648203
[4-(4-aminobutyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 43251904
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
(2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 6422948
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 109021977

Frequently Asked Questions

What is the IUPAC name of [4-[3-(3-fluoro-4-methoxyphenyl)propyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[3-(3-fluoro-4-methoxyphenyl)propyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 86804160) is [4-[3-(3-fluoro-4-methoxyphenyl)propyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[3-(3-fluoro-4-methoxyphenyl)propyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[3-(3-fluoro-4-methoxyphenyl)propyl]piperazin-1-yl]-(furan-2-yl)methanone is COc1ccc(CCCN2CCN(C(=O)c3ccco3)CC2)cc1F.
What is the InChIKey of [4-[3-(3-fluoro-4-methoxyphenyl)propyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is LOUGTIFHPKKAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-24-17-7-6-15(14-16(17)20)4-2-8-21-9-11-22(12-10-21)19(23)18-5-3-13-25-18/h3,5-7,13-14H,2,4,8-12H2,1H3.
What are the key properties of [4-[3-(3-fluoro-4-methoxyphenyl)propyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[3-(3-fluoro-4-methoxyphenyl)propyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 346.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3-fluoro-4-methoxyphenyl)propyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 86804160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).