[4-(4-chlorophenoxy)piperidin-1-yl]-(5,6-dimethoxy-1H-indol-2-yl)methanone

C22H23ClN2O4 — CID 67170444

IUPAC[4-(4-chlorophenoxy)piperidin-1-yl]-(5,6-dimethoxy-1H-indol-2-yl)methanone
SMILESCOc1cc2cc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)[nH]c2cc1OC
InChIInChI=1S/C22H23ClN2O4/c1-27-20-12-14-11-19(24-18(14)13-21(20)28-2)22(26)25-9-7-17(8-10-25)29-16-5-3-15(23)4-6-16/h3-6,11-13,17,24H,7-10H2,1-2H3
InChIKeyIUYWYMBHSLBFNT-UHFFFAOYSA-N
MW414.89 g/mol
LogP4.52
Rot. Bonds5

About [4-(4-chlorophenoxy)piperidin-1-yl]-(5,6-dimethoxy-1H-indol-2-yl)methanone

[4-(4-chlorophenoxy)piperidin-1-yl]-(5,6-dimethoxy-1H-indol-2-yl)methanone (PubChem CID 67170444) has the molecular formula C22H23ClN2O4 and a molecular weight of 414.89 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)piperidin-1-yl]-(5,6-dimethoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)piperidin-1-yl]-(5,6-dimethoxy-1H-indol-2-yl)methanone
PubChem CID67170444
Molecular FormulaC22H23ClN2O4
Molecular Weight414.89 g/mol
Exact Mass414.13
IUPAC Name[4-(4-chlorophenoxy)piperidin-1-yl]-(5,6-dimethoxy-1H-indol-2-yl)methanone
SMILESCOc1cc2cc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)[nH]c2cc1OC
InChIInChI=1S/C22H23ClN2O4/c1-27-20-12-14-11-19(24-18(14)13-21(20)28-2)22(26)25-9-7-17(8-10-25)29-16-5-3-15(23)4-6-16/h3-6,11-13,17,24H,7-10H2,1-2H3
InChIKeyIUYWYMBHSLBFNT-UHFFFAOYSA-N
XLogP4.52
TPSA63.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-1H-indol-2-yl)-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
CID 122421163
[4-(4-chlorophenoxy)piperidin-1-yl]-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 166338976
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 33367407
[4-(4-chlorophenoxy)piperidin-1-yl]-[4-(dimethylamino)-2-methoxyphenyl]methanone
CID 166338888
[4-(4-chlorophenoxy)piperidin-1-yl]-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone
CID 141104891
(5,6-dimethoxy-1H-indol-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7618198
(5,6-dimethoxy-1H-indol-2-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 7618209
(6-chloro-1H-indol-2-yl)-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 75447446
(5-chloro-1H-indol-2-yl)-[(4S,5S)-4-hydroxy-5-(3-methoxyphenoxy)azepan-1-yl]methanone
CID 110164573
(4-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 67168484
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-(5,6-dimethoxy-1H-indol-2-yl)methanone?
The IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-(5,6-dimethoxy-1H-indol-2-yl)methanone (CID 67170444) is [4-(4-chlorophenoxy)piperidin-1-yl]-(5,6-dimethoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenoxy)piperidin-1-yl]-(5,6-dimethoxy-1H-indol-2-yl)methanone?
The canonical SMILES for [4-(4-chlorophenoxy)piperidin-1-yl]-(5,6-dimethoxy-1H-indol-2-yl)methanone is COc1cc2cc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)[nH]c2cc1OC.
What is the InChIKey of [4-(4-chlorophenoxy)piperidin-1-yl]-(5,6-dimethoxy-1H-indol-2-yl)methanone?
The InChIKey is IUYWYMBHSLBFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O4/c1-27-20-12-14-11-19(24-18(14)13-21(20)28-2)22(26)25-9-7-17(8-10-25)29-16-5-3-15(23)4-6-16/h3-6,11-13,17,24H,7-10H2,1-2H3.
What are the key properties of [4-(4-chlorophenoxy)piperidin-1-yl]-(5,6-dimethoxy-1H-indol-2-yl)methanone?
[4-(4-chlorophenoxy)piperidin-1-yl]-(5,6-dimethoxy-1H-indol-2-yl)methanone has a molecular weight of 414.89 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)piperidin-1-yl]-(5,6-dimethoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 67170444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).