1H-indol-2-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

C18H19N4O+ — CID 7015548

IUPAC1H-indol-2-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(c2cccc[nH+]2)CC1
InChIInChI=1S/C18H18N4O/c23-18(16-13-14-5-1-2-6-15(14)20-16)22-11-9-21(10-12-22)17-7-3-4-8-19-17/h1-8,13,20H,9-12H2/p+1
InChIKeyFISMTDVFYIMUBI-UHFFFAOYSA-O
MW307.38 g/mol
LogP1.94
Rot. Bonds2

About 1H-indol-2-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

1H-indol-2-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone (PubChem CID 7015548) has the molecular formula C18H19N4O+ and a molecular weight of 307.38 g/mol. Its IUPAC name is 1H-indol-2-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1H-indol-2-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone
PubChem CID7015548
Molecular FormulaC18H19N4O+
Molecular Weight307.38 g/mol
Exact Mass307.16
IUPAC Name1H-indol-2-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(c2cccc[nH+]2)CC1
InChIInChI=1S/C18H18N4O/c23-18(16-13-14-5-1-2-6-15(14)20-16)22-11-9-21(10-12-22)17-7-3-4-8-19-17/h1-8,13,20H,9-12H2/p+1
InChIKeyFISMTDVFYIMUBI-UHFFFAOYSA-O
XLogP1.94
TPSA53.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
[4-(3-chlorophenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 9208332
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
1H-indol-2-yl-[4-(3-pyrrolidin-1-ylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 154835068
1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 54975611
1H-indol-2-yl-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060454
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
furan-3-yl-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 33018299
(4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone
CID 4231166

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone?
The IUPAC name of 1H-indol-2-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone (CID 7015548) is 1H-indol-2-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for 1H-indol-2-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for 1H-indol-2-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1CCN(c2cccc[nH+]2)CC1.
What is the InChIKey of 1H-indol-2-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone?
The InChIKey is FISMTDVFYIMUBI-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18N4O/c23-18(16-13-14-5-1-2-6-15(14)20-16)22-11-9-21(10-12-22)17-7-3-4-8-19-17/h1-8,13,20H,9-12H2/p+1.
What are the key properties of 1H-indol-2-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone?
1H-indol-2-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone has a molecular weight of 307.38 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 7015548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).