[4-(furan-2-carbonyl)piperazin-1-yl]-(1H-indol-6-yl)methanone

C18H17N3O3 — CID 110695005

IUPAC[4-(furan-2-carbonyl)piperazin-1-yl]-(1H-indol-6-yl)methanone
SMILESO=C(c1ccc2cc[nH]c2c1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H17N3O3/c22-17(14-4-3-13-5-6-19-15(13)12-14)20-7-9-21(10-8-20)18(23)16-2-1-11-24-16/h1-6,11-12,19H,7-10H2
InChIKeyYNMPMDBGLXZDHN-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.36
Rot. Bonds2

About [4-(furan-2-carbonyl)piperazin-1-yl]-(1H-indol-6-yl)methanone

[4-(furan-2-carbonyl)piperazin-1-yl]-(1H-indol-6-yl)methanone (PubChem CID 110695005) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is [4-(furan-2-carbonyl)piperazin-1-yl]-(1H-indol-6-yl)methanone.

Molecular Properties

Compound Name[4-(furan-2-carbonyl)piperazin-1-yl]-(1H-indol-6-yl)methanone
PubChem CID110695005
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name[4-(furan-2-carbonyl)piperazin-1-yl]-(1H-indol-6-yl)methanone
SMILESO=C(c1ccc2cc[nH]c2c1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H17N3O3/c22-17(14-4-3-13-5-6-19-15(13)12-14)20-7-9-21(10-8-20)18(23)16-2-1-11-24-16/h1-6,11-12,19H,7-10H2
InChIKeyYNMPMDBGLXZDHN-UHFFFAOYSA-N
XLogP2.36
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 110807796
[4-(furan-2-carbonyl)piperazin-1-yl]-(2-propan-2-yl-3H-benzimidazol-5-yl)methanone
CID 110801893
[4-(6-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38908871
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110807785
azepan-1-yl(furan-2-yl)methanone
CID 5200992
[2-(cyclopentylamino)-4-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 109166110
[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38909280
[4-(furan-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 60656601
[4-(difluoromethylsulfanyl)phenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 42093720
(4-hydroxyphenyl)-[1-(1H-indole-6-carbonyl)piperidin-4-yl]methanone
CID 75403252
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(morpholine-4-carbonyl)-4-pyridinyl]methanone
CID 109083000
N-[5-(1H-indole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526605

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-(1H-indol-6-yl)methanone?
The IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-(1H-indol-6-yl)methanone (CID 110695005) is [4-(furan-2-carbonyl)piperazin-1-yl]-(1H-indol-6-yl)methanone.
What is the SMILES notation for [4-(furan-2-carbonyl)piperazin-1-yl]-(1H-indol-6-yl)methanone?
The canonical SMILES for [4-(furan-2-carbonyl)piperazin-1-yl]-(1H-indol-6-yl)methanone is O=C(c1ccc2cc[nH]c2c1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-(furan-2-carbonyl)piperazin-1-yl]-(1H-indol-6-yl)methanone?
The InChIKey is YNMPMDBGLXZDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-17(14-4-3-13-5-6-19-15(13)12-14)20-7-9-21(10-8-20)18(23)16-2-1-11-24-16/h1-6,11-12,19H,7-10H2.
What are the key properties of [4-(furan-2-carbonyl)piperazin-1-yl]-(1H-indol-6-yl)methanone?
[4-(furan-2-carbonyl)piperazin-1-yl]-(1H-indol-6-yl)methanone has a molecular weight of 323.35 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-carbonyl)piperazin-1-yl]-(1H-indol-6-yl)methanone is sourced from PubChem (CID 110695005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).