[4-(4-chlorophenoxy)piperidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone

C22H23ClN2O3 — CID 67169048

IUPAC[4-(4-chlorophenoxy)piperidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)n(C)c2c1
InChIInChI=1S/C22H23ClN2O3/c1-24-20-14-19(27-2)6-3-15(20)13-21(24)22(26)25-11-9-18(10-12-25)28-17-7-4-16(23)5-8-17/h3-8,13-14,18H,9-12H2,1-2H3
InChIKeyNNJYZYQAFWBYJJ-UHFFFAOYSA-N
MW398.89 g/mol
LogP4.52
Rot. Bonds4

About [4-(4-chlorophenoxy)piperidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone

[4-(4-chlorophenoxy)piperidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone (PubChem CID 67169048) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)piperidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)piperidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone
PubChem CID67169048
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC Name[4-(4-chlorophenoxy)piperidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)n(C)c2c1
InChIInChI=1S/C22H23ClN2O3/c1-24-20-14-19(27-2)6-3-15(20)13-21(24)22(26)25-11-9-18(10-12-25)28-17-7-4-16(23)5-8-17/h3-8,13-14,18H,9-12H2,1-2H3
InChIKeyNNJYZYQAFWBYJJ-UHFFFAOYSA-N
XLogP4.52
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Indomethacin Morpholinylamide
CID 2415
Carbazole-3-carboxamide analog 1
CID 46871948
(4,4-difluoropiperidin-1-yl)(5-(1-isopropylpiperidin-4-yloxy)-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl)methanone
CID 11663122
(1-(3,4-dichlorophenyl)-5-(1-isopropylpiperidin-4-yloxy)-1H-indol-2-yl)(4,4-difluoropiperidin-1-yl)methanone
CID 16739525
(6-methoxy-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 4905344
5-chloranyl-6-fluoranyl-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide
CID 154585764
1-(3-methoxyphenyl)-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801212
N-[(4-ethoxyphenyl)methyl]-N-methylquinoline-2-carboxamide
CID 2530477
(4-ethylpiperazin-1-yl)(6-methoxy-1H-indol-2-yl)methanone
CID 4905025
N-benzyl-6-methoxy-N-methyl-1H-indole-2-carboxamide
CID 4905426
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 4909393
ethyl 4-(6-methoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate
CID 4974825

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone?
The IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone (CID 67169048) is [4-(4-chlorophenoxy)piperidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenoxy)piperidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone?
The canonical SMILES for [4-(4-chlorophenoxy)piperidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone is COc1ccc2cc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)n(C)c2c1.
What is the InChIKey of [4-(4-chlorophenoxy)piperidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone?
The InChIKey is NNJYZYQAFWBYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c1-24-20-14-19(27-2)6-3-15(20)13-21(24)22(26)25-11-9-18(10-12-25)28-17-7-4-16(23)5-8-17/h3-8,13-14,18H,9-12H2,1-2H3.
What are the key properties of [4-(4-chlorophenoxy)piperidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone?
[4-(4-chlorophenoxy)piperidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone has a molecular weight of 398.89 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)piperidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone is sourced from PubChem (CID 67169048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).