(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

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

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Related Compounds

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
(R)-3-(4-(3-(1-(5-chloro-1,3-dimethyl-1H-indole-2-carboxamido)ethyl)-5-fluorophenoxy)-2-ethylphenyl)propanoic acid
CID 24754924
(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-(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).