(4-butylfuro[3,2-b]pyrrol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone

C21H24ClN3O2 — CID 4571903

IUPAC(4-butylfuro[3,2-b]pyrrol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESCCCCn1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc2occc21
InChIInChI=1S/C21H24ClN3O2/c1-2-3-8-25-18-7-13-27-20(18)15-19(25)21(26)24-11-9-23(10-12-24)17-6-4-5-16(22)14-17/h4-7,13-15H,2-3,8-12H2,1H3
InChIKeyNKAICMGVZJBWJW-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.65
Rot. Bonds5

About (4-butylfuro[3,2-b]pyrrol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone

(4-butylfuro[3,2-b]pyrrol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 4571903) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is (4-butylfuro[3,2-b]pyrrol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-butylfuro[3,2-b]pyrrol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
PubChem CID4571903
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name(4-butylfuro[3,2-b]pyrrol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESCCCCn1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc2occc21
InChIInChI=1S/C21H24ClN3O2/c1-2-3-8-25-18-7-13-27-20(18)15-19(25)21(26)24-11-9-23(10-12-24)17-6-4-5-16(22)14-17/h4-7,13-15H,2-3,8-12H2,1H3
InChIKeyNKAICMGVZJBWJW-UHFFFAOYSA-N
XLogP4.65
TPSA41.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-butylfuro[3,2-b]pyrrol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

1-[4-[4-[(3-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperazin-1-yl]ethanone
CID 42790770
(2-chlorofuran-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 106685249
[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 669410
2-butyl-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 9146689
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
ethyl 4-[4-(cyclobutylmethyl)furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate
CID 3630000
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 110692830
[4-(3-chlorophenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 35295381
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 879682
1-butyl-N-[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153436

Frequently Asked Questions

What is the IUPAC name of (4-butylfuro[3,2-b]pyrrol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-butylfuro[3,2-b]pyrrol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone (CID 4571903) is (4-butylfuro[3,2-b]pyrrol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-butylfuro[3,2-b]pyrrol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-butylfuro[3,2-b]pyrrol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone is CCCCn1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc2occc21.
What is the InChIKey of (4-butylfuro[3,2-b]pyrrol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is NKAICMGVZJBWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-2-3-8-25-18-7-13-27-20(18)15-19(25)21(26)24-11-9-23(10-12-24)17-6-4-5-16(22)14-17/h4-7,13-15H,2-3,8-12H2,1H3.
What are the key properties of (4-butylfuro[3,2-b]pyrrol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
(4-butylfuro[3,2-b]pyrrol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 385.90 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylfuro[3,2-b]pyrrol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 4571903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).