(5-chloro-1H-indol-2-yl)-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone

C17H19ClN2O3 — CID 95270014

IUPAC(5-chloro-1H-indol-2-yl)-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCC[C@H]1C1OCCO1
InChIInChI=1S/C17H19ClN2O3/c18-12-4-5-13-11(9-12)10-14(19-13)16(21)20-6-2-1-3-15(20)17-22-7-8-23-17/h4-5,9-10,15,17,19H,1-3,6-8H2/t15-/m0/s1
InChIKeyZUOLPHJAYINFEC-HNNXBMFYSA-N
MW334.80 g/mol
LogP3.19
Rot. Bonds2

About (5-chloro-1H-indol-2-yl)-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone

(5-chloro-1H-indol-2-yl)-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone (PubChem CID 95270014) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is (5-chloro-1H-indol-2-yl)-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-2-yl)-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone
PubChem CID95270014
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name(5-chloro-1H-indol-2-yl)-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCC[C@H]1C1OCCO1
InChIInChI=1S/C17H19ClN2O3/c18-12-4-5-13-11(9-12)10-14(19-13)16(21)20-6-2-1-3-15(20)17-22-7-8-23-17/h4-5,9-10,15,17,19H,1-3,6-8H2/t15-/m0/s1
InChIKeyZUOLPHJAYINFEC-HNNXBMFYSA-N
XLogP3.19
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-1H-indol-2-yl)-(2-pyrrolidin-3-ylpiperidin-1-yl)methanone
CID 122421137
(5-chloro-1H-indol-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 91649902
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-(7-nitro-1H-indol-2-yl)methanone
CID 102555785
(2-cyclopentylpyrrolidin-1-yl)-(5-fluoro-1H-indol-2-yl)methanone
CID 87042859
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(5-bromo-1H-indol-2-yl)methanone
CID 56819225
5-chloro-N'-(oxane-4-carbonyl)-1H-indole-2-carbohydrazide
CID 11255709
2-(2-chlorophenyl)-1-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone
CID 95383453
[(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
N-(1,3-benzothiazol-2-yl)-1-(5-chloro-1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 86945118
5-chloro-1H-indole-2-carboxylic acid;ethane
CID 143173847
[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 33367407

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-2-yl)-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-chloro-1H-indol-2-yl)-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone (CID 95270014) is (5-chloro-1H-indol-2-yl)-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-1H-indol-2-yl)-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-chloro-1H-indol-2-yl)-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone is O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCC[C@H]1C1OCCO1.
What is the InChIKey of (5-chloro-1H-indol-2-yl)-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone?
The InChIKey is ZUOLPHJAYINFEC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c18-12-4-5-13-11(9-12)10-14(19-13)16(21)20-6-2-1-3-15(20)17-22-7-8-23-17/h4-5,9-10,15,17,19H,1-3,6-8H2/t15-/m0/s1.
What are the key properties of (5-chloro-1H-indol-2-yl)-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone?
(5-chloro-1H-indol-2-yl)-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone has a molecular weight of 334.80 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-2-yl)-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95270014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).