[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate

C18H23ClN2O2 — CID 174813867

IUPAC[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(c2c[nH]c3cc(Cl)ccc23)CC1
InChIInChI=1S/C18H23ClN2O2/c1-18(2,3)17(22)23-21-8-6-12(7-9-21)15-11-20-16-10-13(19)4-5-14(15)16/h4-5,10-12,20H,6-9H2,1-3H3
InChIKeyGSNGUMCZFGWMGY-UHFFFAOYSA-N
MW334.85 g/mol
LogP4.51
Rot. Bonds2

About [4-(6-chloro-1H-indol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate

[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174813867) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is [4-(6-chloro-1H-indol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174813867
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(c2c[nH]c3cc(Cl)ccc23)CC1
InChIInChI=1S/C18H23ClN2O2/c1-18(2,3)17(22)23-21-8-6-12(7-9-21)15-11-20-16-10-13(19)4-5-14(15)16/h4-5,10-12,20H,6-9H2,1-3H3
InChIKeyGSNGUMCZFGWMGY-UHFFFAOYSA-N
XLogP4.51
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
CID 23656071
[4-(4-chloro-2-pyridinyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174622965
[4-(2,4-dichlorophenoxy)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174800010
tert-butyl 4-(5-chloro-1H-indol-3-yl)piperidine-1-carboxylate;5-chloro-3-piperidin-4-yl-1H-indole;hydrochloride
CID 161384154
1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113087714
6-chloro-3-[1-[(4-propan-2-yloxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-4-yl]-1H-indole;oxalic acid
CID 18545828
6-chloro-3-[1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]piperidin-4-yl]-1H-indole
CID 18323647
[4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174848374
1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone
CID 163684604
ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 145286856
1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-3-methylbutan-1-one
CID 113087458
3-(4-tert-butylcyclohexyl)-5-chloro-1H-indole
CID 106985287

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloro-1H-indol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-(6-chloro-1H-indol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate (CID 174813867) is [4-(6-chloro-1H-indol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(6-chloro-1H-indol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-(6-chloro-1H-indol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCC(c2c[nH]c3cc(Cl)ccc23)CC1.
What is the InChIKey of [4-(6-chloro-1H-indol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is GSNGUMCZFGWMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c1-18(2,3)17(22)23-21-8-6-12(7-9-21)15-11-20-16-10-13(19)4-5-14(15)16/h4-5,10-12,20H,6-9H2,1-3H3.
What are the key properties of [4-(6-chloro-1H-indol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 334.85 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloro-1H-indol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174813867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).