(5-chloro-1H-indol-2-yl)-(4-phenoxypiperidin-1-yl)methanone

C20H19ClN2O2 — CID 51125227

IUPAC(5-chloro-1H-indol-2-yl)-(4-phenoxypiperidin-1-yl)methanone
SMILESO=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C20H19ClN2O2/c21-15-6-7-18-14(12-15)13-19(22-18)20(24)23-10-8-17(9-11-23)25-16-4-2-1-3-5-16/h1-7,12-13,17,22H,8-11H2
InChIKeySZKIHJWMTZEWGG-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.50
Rot. Bonds3

About (5-chloro-1H-indol-2-yl)-(4-phenoxypiperidin-1-yl)methanone

(5-chloro-1H-indol-2-yl)-(4-phenoxypiperidin-1-yl)methanone (PubChem CID 51125227) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is (5-chloro-1H-indol-2-yl)-(4-phenoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-2-yl)-(4-phenoxypiperidin-1-yl)methanone
PubChem CID51125227
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name(5-chloro-1H-indol-2-yl)-(4-phenoxypiperidin-1-yl)methanone
SMILESO=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C20H19ClN2O2/c21-15-6-7-18-14(12-15)13-19(22-18)20(24)23-10-8-17(9-11-23)25-16-4-2-1-3-5-16/h1-7,12-13,17,22H,8-11H2
InChIKeySZKIHJWMTZEWGG-UHFFFAOYSA-N
XLogP4.50
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-Isopropylpiperidin-4-YL)-1-(3-methoxybenzyl)-1H-indole-2-carboxamide
CID 6540267
CID 130431318
CID 130431318
N-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl)-1H-indole-2-carboxamide
CID 10454026
(5-(1-isopropylpiperidin-4-yloxy)-1H-indol-2-yl)(morpholino)methanone
CID 11717680
1-{3-[5-Chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-1-oxopropyl}-4-(2-methoxyphenyl)piperazine
CID 18669087
(1H-Indol-2-yl)(4-(2-(4-methoxyphenoxy)ethyl)piperazin-1-yl)methanone
CID 27842480
N-[2-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 42626317
azepan-1-yl(5-(1-isopropylpiperidin-4-yloxy)-1H-indol-2-yl)methanone
CID 44184899
N-[4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 130431351
6-(Benzyloxy)-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one
CID 563298
(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methanone
CID 652786
(6-methoxy-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 4905344

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-2-yl)-(4-phenoxypiperidin-1-yl)methanone?
The IUPAC name of (5-chloro-1H-indol-2-yl)-(4-phenoxypiperidin-1-yl)methanone (CID 51125227) is (5-chloro-1H-indol-2-yl)-(4-phenoxypiperidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-1H-indol-2-yl)-(4-phenoxypiperidin-1-yl)methanone?
The canonical SMILES for (5-chloro-1H-indol-2-yl)-(4-phenoxypiperidin-1-yl)methanone is O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of (5-chloro-1H-indol-2-yl)-(4-phenoxypiperidin-1-yl)methanone?
The InChIKey is SZKIHJWMTZEWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c21-15-6-7-18-14(12-15)13-19(22-18)20(24)23-10-8-17(9-11-23)25-16-4-2-1-3-5-16/h1-7,12-13,17,22H,8-11H2.
What are the key properties of (5-chloro-1H-indol-2-yl)-(4-phenoxypiperidin-1-yl)methanone?
(5-chloro-1H-indol-2-yl)-(4-phenoxypiperidin-1-yl)methanone has a molecular weight of 354.84 g/mol, XLogP of 4.50, 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-phenoxypiperidin-1-yl)methanone is sourced from PubChem (CID 51125227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).