2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1H-indole-3-carbonitrile

C19H16N4O3 — CID 10497907

IUPAC2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1H-indole-3-carbonitrile
SMILESN#Cc1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)[nH]c2ccccc12
InChIInChI=1S/C19H16N4O3/c20-12-14-13-4-1-2-5-15(13)21-17(14)19(25)23-9-7-22(8-10-23)18(24)16-6-3-11-26-16/h1-6,11,21H,7-10H2
InChIKeyDZVMASJBXQUFAM-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.23
Rot. Bonds2

About 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1H-indole-3-carbonitrile

2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1H-indole-3-carbonitrile (PubChem CID 10497907) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1H-indole-3-carbonitrile
PubChem CID10497907
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1H-indole-3-carbonitrile
SMILESN#Cc1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)[nH]c2ccccc12
InChIInChI=1S/C19H16N4O3/c20-12-14-13-4-1-2-5-15(13)21-17(14)19(25)23-9-7-22(8-10-23)18(24)16-6-3-11-26-16/h1-6,11,21H,7-10H2
InChIKeyDZVMASJBXQUFAM-UHFFFAOYSA-N
XLogP2.23
TPSA93.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53117750
[4-(3-ethyl-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 50950547
azane;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(2-phenylethyl)quinoline-3-carbonitrile
CID 162334317
N-(2-cyanophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2100948
3-(furan-2-carbonyl)-4H-pyrazolo[5,4-b]indole-1-carbonitrile
CID 135867864
azane;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
CID 159792567
2-acetyl-1H-indole-3-carbonitrile
CID 10352353
4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carbonitrile
CID 58799187
(4-benzylpiperazin-1-yl)-(3-methyl-1H-indol-2-yl)methanone
CID 113204222
furan-2-yl-[4-(3,4,7-trimethyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 131940830
azepan-1-yl(furan-2-yl)methanone
CID 5200992
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 945225

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1H-indole-3-carbonitrile?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1H-indole-3-carbonitrile (CID 10497907) is 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1H-indole-3-carbonitrile.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1H-indole-3-carbonitrile?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1H-indole-3-carbonitrile is N#Cc1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)[nH]c2ccccc12.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1H-indole-3-carbonitrile?
The InChIKey is DZVMASJBXQUFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c20-12-14-13-4-1-2-5-15(13)21-17(14)19(25)23-9-7-22(8-10-23)18(24)16-6-3-11-26-16/h1-6,11,21H,7-10H2.
What are the key properties of 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1H-indole-3-carbonitrile?
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1H-indole-3-carbonitrile has a molecular weight of 348.36 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1H-indole-3-carbonitrile is sourced from PubChem (CID 10497907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).