N-(5-chloro-2-hydroxyphenyl)-1-(6-methoxy-1H-indole-2-carbonyl)piperidine-4-carboxamide

C22H22ClN3O4 — CID 154749753

IUPACN-(5-chloro-2-hydroxyphenyl)-1-(6-methoxy-1H-indole-2-carbonyl)piperidine-4-carboxamide
SMILESCOc1ccc2cc(C(=O)N3CCC(C(=O)Nc4cc(Cl)ccc4O)CC3)[nH]c2c1
InChIInChI=1S/C22H22ClN3O4/c1-30-16-4-2-14-10-19(24-17(14)12-16)22(29)26-8-6-13(7-9-26)21(28)25-18-11-15(23)3-5-20(18)27/h2-5,10-13,24,27H,6-9H2,1H3,(H,25,28)
InChIKeyLKRIOQQLOZZGAQ-UHFFFAOYSA-N
MW427.89 g/mol
LogP4.03
Rot. Bonds4

About N-(5-chloro-2-hydroxyphenyl)-1-(6-methoxy-1H-indole-2-carbonyl)piperidine-4-carboxamide

N-(5-chloro-2-hydroxyphenyl)-1-(6-methoxy-1H-indole-2-carbonyl)piperidine-4-carboxamide (PubChem CID 154749753) has the molecular formula C22H22ClN3O4 and a molecular weight of 427.89 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-1-(6-methoxy-1H-indole-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-1-(6-methoxy-1H-indole-2-carbonyl)piperidine-4-carboxamide
PubChem CID154749753
Molecular FormulaC22H22ClN3O4
Molecular Weight427.89 g/mol
Exact Mass427.13
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-1-(6-methoxy-1H-indole-2-carbonyl)piperidine-4-carboxamide
SMILESCOc1ccc2cc(C(=O)N3CCC(C(=O)Nc4cc(Cl)ccc4O)CC3)[nH]c2c1
InChIInChI=1S/C22H22ClN3O4/c1-30-16-4-2-14-10-19(24-17(14)12-16)22(29)26-8-6-13(7-9-26)21(28)25-18-11-15(23)3-5-20(18)27/h2-5,10-13,24,27H,6-9H2,1H3,(H,25,28)
InChIKeyLKRIOQQLOZZGAQ-UHFFFAOYSA-N
XLogP4.03
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(3,4-dichlorophenyl)-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]methanone
CID 55957029
[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 33367407
N-(5-chloro-2-hydroxyphenyl)-1-(2,5-dimethylthiophene-3-carbonyl)piperidine-4-carboxamide
CID 71864229
(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4909282
N-(2,4-dimethoxyphenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide
CID 42649283
(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-propylpropanamide
CID 92503700
methyl (2R)-2-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl]piperidin-1-yl]propanoate
CID 124594809
[4-(4-chlorophenoxy)piperidin-1-yl]-(5,6-dimethoxy-1H-indol-2-yl)methanone
CID 67170444
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 46445914
4-[1-(6-methoxy-1H-indole-2-carbonyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628768
(6-methoxy-1H-indol-2-yl)-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887511
N-[(2S)-butan-2-yl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 93076979

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1-(6-methoxy-1H-indole-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1-(6-methoxy-1H-indole-2-carbonyl)piperidine-4-carboxamide (CID 154749753) is N-(5-chloro-2-hydroxyphenyl)-1-(6-methoxy-1H-indole-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-1-(6-methoxy-1H-indole-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-1-(6-methoxy-1H-indole-2-carbonyl)piperidine-4-carboxamide is COc1ccc2cc(C(=O)N3CCC(C(=O)Nc4cc(Cl)ccc4O)CC3)[nH]c2c1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-1-(6-methoxy-1H-indole-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is LKRIOQQLOZZGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O4/c1-30-16-4-2-14-10-19(24-17(14)12-16)22(29)26-8-6-13(7-9-26)21(28)25-18-11-15(23)3-5-20(18)27/h2-5,10-13,24,27H,6-9H2,1H3,(H,25,28).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-1-(6-methoxy-1H-indole-2-carbonyl)piperidine-4-carboxamide?
N-(5-chloro-2-hydroxyphenyl)-1-(6-methoxy-1H-indole-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 427.89 g/mol, XLogP of 4.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-1-(6-methoxy-1H-indole-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 154749753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).