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

C19H22N2O3 — CID 110311024

IUPAC3-(furan-2-yl)-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one
SMILESCc1cccc(C(=O)N2CCN(C(=O)CCc3ccco3)CC2)c1
InChIInChI=1S/C19H22N2O3/c1-15-4-2-5-16(14-15)19(23)21-11-9-20(10-12-21)18(22)8-7-17-6-3-13-24-17/h2-6,13-14H,7-12H2,1H3
InChIKeyWNYHXMQGIISPCO-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.51
Rot. Bonds4

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

3-(furan-2-yl)-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one (PubChem CID 110311024) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one
PubChem CID110311024
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-(furan-2-yl)-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one
SMILESCc1cccc(C(=O)N2CCN(C(=O)CCc3ccco3)CC2)c1
InChIInChI=1S/C19H22N2O3/c1-15-4-2-5-16(14-15)19(23)21-11-9-20(10-12-21)18(22)8-7-17-6-3-13-24-17/h2-6,13-14H,7-12H2,1H3
InChIKeyWNYHXMQGIISPCO-UHFFFAOYSA-N
XLogP2.51
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-methylbenzoyl)piperazin-1-yl]-5-phenylpentan-1-one
CID 110311046
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 32538724
4-(methylamino)-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]butan-1-one
CID 119710618
3-(3,4-dimethoxyphenyl)-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 38462463
3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 54923480
1-(2-fluorophenyl)-4-[4-(3-methylbenzoyl)piperazin-1-yl]butane-1,4-dione
CID 110632664
1-[4-(3-methylbenzoyl)piperazin-1-yl]-4-pyridin-3-ylbutane-1,4-dione
CID 110632670
[3-[4-[3-(3-methylphenyl)propanoyl]piperazine-1-carbonyl]phenyl] acetate
CID 108926770
2-methoxy-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 108547620
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone
CID 143519775

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(furan-2-yl)-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one (CID 110311024) is 3-(furan-2-yl)-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(furan-2-yl)-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(furan-2-yl)-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one is Cc1cccc(C(=O)N2CCN(C(=O)CCc3ccco3)CC2)c1.
What is the InChIKey of 3-(furan-2-yl)-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one?
The InChIKey is WNYHXMQGIISPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-15-4-2-5-16(14-15)19(23)21-11-9-20(10-12-21)18(22)8-7-17-6-3-13-24-17/h2-6,13-14H,7-12H2,1H3.
What are the key properties of 3-(furan-2-yl)-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one?
3-(furan-2-yl)-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one has a molecular weight of 326.40 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110311024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).