(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone

C21H21ClN2O2 — CID 122434986

IUPAC(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1
InChIInChI=1S/C21H21ClN2O2/c1-14-2-5-17(6-3-14)26-18-8-10-24(11-9-18)21(25)20-13-15-12-16(22)4-7-19(15)23-20/h2-7,12-13,18,23H,8-11H2,1H3
InChIKeyQUTPXWKWJNXVOK-UHFFFAOYSA-N
MW368.86 g/mol
LogP4.81
Rot. Bonds3

About (5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone

(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone (PubChem CID 122434986) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is (5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
PubChem CID122434986
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1
InChIInChI=1S/C21H21ClN2O2/c1-14-2-5-17(6-3-14)26-18-8-10-24(11-9-18)21(25)20-13-15-12-16(22)4-7-19(15)23-20/h2-7,12-13,18,23H,8-11H2,1H3
InChIKeyQUTPXWKWJNXVOK-UHFFFAOYSA-N
XLogP4.81
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.81
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-(4-methylphenoxy)piperidin-1-yl]methanone?
The IUPAC name of (5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone (CID 122434986) is (5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone?
The canonical SMILES for (5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone is Cc1ccc(OC2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1.
What is the InChIKey of (5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone?
The InChIKey is QUTPXWKWJNXVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-14-2-5-17(6-3-14)26-18-8-10-24(11-9-18)21(25)20-13-15-12-16(22)4-7-19(15)23-20/h2-7,12-13,18,23H,8-11H2,1H3.
What are the key properties of (5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone?
(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone has a molecular weight of 368.86 g/mol, XLogP of 4.81, 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-(4-methylphenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 122434986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).