[4-[2-(4-bromophenyl)hydrazinyl]piperidin-1-yl]-(5-chloro-1H-indol-2-yl)methanone

C20H20BrClN4O — CID 122435985

IUPAC[4-[2-(4-bromophenyl)hydrazinyl]piperidin-1-yl]-(5-chloro-1H-indol-2-yl)methanone
SMILESO=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC(NNc2ccc(Br)cc2)CC1
InChIInChI=1S/C20H20BrClN4O/c21-14-1-4-16(5-2-14)24-25-17-7-9-26(10-8-17)20(27)19-12-13-11-15(22)3-6-18(13)23-19/h1-6,11-12,17,23-25H,7-10H2
InChIKeyUKAHOHCDCVZBAR-UHFFFAOYSA-N
MW447.76 g/mol
LogP4.81
Rot. Bonds4

About [4-[2-(4-bromophenyl)hydrazinyl]piperidin-1-yl]-(5-chloro-1H-indol-2-yl)methanone

[4-[2-(4-bromophenyl)hydrazinyl]piperidin-1-yl]-(5-chloro-1H-indol-2-yl)methanone (PubChem CID 122435985) has the molecular formula C20H20BrClN4O and a molecular weight of 447.76 g/mol. Its IUPAC name is [4-[2-(4-bromophenyl)hydrazinyl]piperidin-1-yl]-(5-chloro-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-(4-bromophenyl)hydrazinyl]piperidin-1-yl]-(5-chloro-1H-indol-2-yl)methanone
PubChem CID122435985
Molecular FormulaC20H20BrClN4O
Molecular Weight447.76 g/mol
Exact Mass446.05
IUPAC Name[4-[2-(4-bromophenyl)hydrazinyl]piperidin-1-yl]-(5-chloro-1H-indol-2-yl)methanone
SMILESO=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC(NNc2ccc(Br)cc2)CC1
InChIInChI=1S/C20H20BrClN4O/c21-14-1-4-16(5-2-14)24-25-17-7-9-26(10-8-17)20(27)19-12-13-11-15(22)3-6-18(13)23-19/h1-6,11-12,17,23-25H,7-10H2
InChIKeyUKAHOHCDCVZBAR-UHFFFAOYSA-N
XLogP4.81
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.76
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
(5-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111562101
(5-chloro-1H-indol-2-yl)-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
CID 122421163
[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 33367407
5-chloro-1H-indole-2-carboxylic acid;ethane
CID 143173847
N-benzyl-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 46376376
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5-chloro-1H-indol-2-yl)methanone
CID 58646827
2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-phenylpropyl)acetamide
CID 50816947
(5-chloro-1H-indol-2-yl)-[(4S,5S)-4-(2-fluorophenoxy)-5-hydroxyazepan-1-yl]methanone
CID 110164518
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
(5-chloro-1H-indol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 46556347
(5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134034136

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-bromophenyl)hydrazinyl]piperidin-1-yl]-(5-chloro-1H-indol-2-yl)methanone?
The IUPAC name of [4-[2-(4-bromophenyl)hydrazinyl]piperidin-1-yl]-(5-chloro-1H-indol-2-yl)methanone (CID 122435985) is [4-[2-(4-bromophenyl)hydrazinyl]piperidin-1-yl]-(5-chloro-1H-indol-2-yl)methanone.
What is the SMILES notation for [4-[2-(4-bromophenyl)hydrazinyl]piperidin-1-yl]-(5-chloro-1H-indol-2-yl)methanone?
The canonical SMILES for [4-[2-(4-bromophenyl)hydrazinyl]piperidin-1-yl]-(5-chloro-1H-indol-2-yl)methanone is O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC(NNc2ccc(Br)cc2)CC1.
What is the InChIKey of [4-[2-(4-bromophenyl)hydrazinyl]piperidin-1-yl]-(5-chloro-1H-indol-2-yl)methanone?
The InChIKey is UKAHOHCDCVZBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrClN4O/c21-14-1-4-16(5-2-14)24-25-17-7-9-26(10-8-17)20(27)19-12-13-11-15(22)3-6-18(13)23-19/h1-6,11-12,17,23-25H,7-10H2.
What are the key properties of [4-[2-(4-bromophenyl)hydrazinyl]piperidin-1-yl]-(5-chloro-1H-indol-2-yl)methanone?
[4-[2-(4-bromophenyl)hydrazinyl]piperidin-1-yl]-(5-chloro-1H-indol-2-yl)methanone has a molecular weight of 447.76 g/mol, XLogP of 4.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-bromophenyl)hydrazinyl]piperidin-1-yl]-(5-chloro-1H-indol-2-yl)methanone is sourced from PubChem (CID 122435985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).