(5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

C17H22ClN3O — CID 134034136

IUPAC(5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C17H22ClN3O/c1-12(2)11-20-5-7-21(8-6-20)17(22)16-10-13-9-14(18)3-4-15(13)19-16/h3-4,9-10,12,19H,5-8,11H2,1-2H3
InChIKeyWLMYBRQHXXGZDM-UHFFFAOYSA-N
MW319.84 g/mol
LogP3.24
Rot. Bonds3

About (5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

(5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 134034136) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is (5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID134034136
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC Name(5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C17H22ClN3O/c1-12(2)11-20-5-7-21(8-6-20)17(22)16-10-13-9-14(18)3-4-15(13)19-16/h3-4,9-10,12,19H,5-8,11H2,1-2H3
InChIKeyWLMYBRQHXXGZDM-UHFFFAOYSA-N
XLogP3.24
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134034137
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-1-(4-propylpiperazin-1-yl)propan-1-one
CID 46376388
(5-chloro-1H-indol-2-yl)-[4-[(2-fluoro-4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 122434958
[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 46579208
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 92879920
(5-chloro-1H-indol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 46556347
(5-chloro-1H-indol-2-yl)-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 86889363
2-[2-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913336
(5-chloro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 3972918
6-tert-butyl-2-[2-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913975
(5-methyl-1H-indol-2-yl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 122434949

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (CID 134034136) is (5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)CN1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.
What is the InChIKey of (5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is WLMYBRQHXXGZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O/c1-12(2)11-20-5-7-21(8-6-20)17(22)16-10-13-9-14(18)3-4-15(13)19-16/h3-4,9-10,12,19H,5-8,11H2,1-2H3.
What are the key properties of (5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
(5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 319.84 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 134034136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).