(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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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).