1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone

C23H23ClN2O3 — CID 174727608

IUPAC1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone
SMILESO=C(Cc1coc2cc3c(cc12)CCCO3)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H23ClN2O3/c24-18-3-5-19(6-4-18)25-7-9-26(10-8-25)23(27)13-17-15-29-22-14-21-16(12-20(17)22)2-1-11-28-21/h3-6,12,14-15H,1-2,7-11,13H2
InChIKeyQYVTXLAGUCBHPO-UHFFFAOYSA-N
MW410.90 g/mol
LogP4.30
Rot. Bonds3

About 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone

1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone (PubChem CID 174727608) has the molecular formula C23H23ClN2O3 and a molecular weight of 410.90 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone
PubChem CID174727608
Molecular FormulaC23H23ClN2O3
Molecular Weight410.90 g/mol
Exact Mass410.14
IUPAC Name1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone
SMILESO=C(Cc1coc2cc3c(cc12)CCCO3)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H23ClN2O3/c24-18-3-5-19(6-4-18)25-7-9-26(10-8-25)23(27)13-17-15-29-22-14-21-16(12-20(17)22)2-1-11-28-21/h3-6,12,14-15H,1-2,7-11,13H2
InChIKeyQYVTXLAGUCBHPO-UHFFFAOYSA-N
XLogP4.30
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone with MolForge

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Related Compounds

1-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone
CID 174727624
1-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone
CID 174727611
2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)acetic acid
CID 172805851
2-(3,4-dihydro-2H-chromen-6-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 110771138
2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 18860283
2-(5-ethyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 18872472
4-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 33006770
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 78771248
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone
CID 119518463
3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropanenitrile
CID 4692412
2-(4-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 94826197
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone?
The IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone (CID 174727608) is 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone.
What is the SMILES notation for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone?
The canonical SMILES for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone is O=C(Cc1coc2cc3c(cc12)CCCO3)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone?
The InChIKey is QYVTXLAGUCBHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3/c24-18-3-5-19(6-4-18)25-7-9-26(10-8-25)23(27)13-17-15-29-22-14-21-16(12-20(17)22)2-1-11-28-21/h3-6,12,14-15H,1-2,7-11,13H2.
What are the key properties of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone?
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone has a molecular weight of 410.90 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)ethanone is sourced from PubChem (CID 174727608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).