N-(1H-indazol-6-yl)-2-(3-methoxyphenyl)piperidine-1-carboxamide

C20H22N4O2 — CID 72906089

IUPACN-(1H-indazol-6-yl)-2-(3-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cccc(C2CCCCN2C(=O)Nc2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C20H22N4O2/c1-26-17-6-4-5-14(11-17)19-7-2-3-10-24(19)20(25)22-16-9-8-15-13-21-23-18(15)12-16/h4-6,8-9,11-13,19H,2-3,7,10H2,1H3,(H,21,23)(H,22,25)
InChIKeyVXUXXAOLBZIOKN-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.33
Rot. Bonds3

About N-(1H-indazol-6-yl)-2-(3-methoxyphenyl)piperidine-1-carboxamide

N-(1H-indazol-6-yl)-2-(3-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 72906089) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-2-(3-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-2-(3-methoxyphenyl)piperidine-1-carboxamide
PubChem CID72906089
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-(1H-indazol-6-yl)-2-(3-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cccc(C2CCCCN2C(=O)Nc2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C20H22N4O2/c1-26-17-6-4-5-14(11-17)19-7-2-3-10-24(19)20(25)22-16-9-8-15-13-21-23-18(15)12-16/h4-6,8-9,11-13,19H,2-3,7,10H2,1H3,(H,21,23)(H,22,25)
InChIKeyVXUXXAOLBZIOKN-UHFFFAOYSA-N
XLogP4.33
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013061
N-(3-bromophenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86986361
(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 94028579
(2R)-N-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-(3-methoxyphenyl)piperidine-1-carboxamide
CID 125172176
2-(3-methoxyphenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)pyrrolidine-1-carboxamide
CID 72867925
N-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86987034
N-(3-ethylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86987252
N-(1H-indazol-6-yl)-2-(3-methoxyphenyl)acetamide
CID 36561093
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
(2R)-N-(3,5-dimethoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 51855985
N-(3-methoxyphenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 4567625
2-(1H-indazol-6-yl)pyrrolidine-1-carboxylic acid
CID 166721441

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-2-(3-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of N-(1H-indazol-6-yl)-2-(3-methoxyphenyl)piperidine-1-carboxamide (CID 72906089) is N-(1H-indazol-6-yl)-2-(3-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-2-(3-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for N-(1H-indazol-6-yl)-2-(3-methoxyphenyl)piperidine-1-carboxamide is COc1cccc(C2CCCCN2C(=O)Nc2ccc3cn[nH]c3c2)c1.
What is the InChIKey of N-(1H-indazol-6-yl)-2-(3-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is VXUXXAOLBZIOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-26-17-6-4-5-14(11-17)19-7-2-3-10-24(19)20(25)22-16-9-8-15-13-21-23-18(15)12-16/h4-6,8-9,11-13,19H,2-3,7,10H2,1H3,(H,21,23)(H,22,25).
What are the key properties of N-(1H-indazol-6-yl)-2-(3-methoxyphenyl)piperidine-1-carboxamide?
N-(1H-indazol-6-yl)-2-(3-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-2-(3-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 72906089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).