N-(2-chloro-6-methylphenyl)-3-[(4-cyano-2-methoxyphenoxy)methyl]piperidine-1-carboxamide

C22H24ClN3O3 — CID 155501859

IUPACN-(2-chloro-6-methylphenyl)-3-[(4-cyano-2-methoxyphenoxy)methyl]piperidine-1-carboxamide
SMILESCOc1cc(C#N)ccc1OCC1CCCN(C(=O)Nc2c(C)cccc2Cl)C1
InChIInChI=1S/C22H24ClN3O3/c1-15-5-3-7-18(23)21(15)25-22(27)26-10-4-6-17(13-26)14-29-19-9-8-16(12-24)11-20(19)28-2/h3,5,7-9,11,17H,4,6,10,13-14H2,1-2H3,(H,25,27)
InChIKeyUKUNAXRMPAUULX-UHFFFAOYSA-N
MW413.91 g/mol
LogP4.85
Rot. Bonds5

About N-(2-chloro-6-methylphenyl)-3-[(4-cyano-2-methoxyphenoxy)methyl]piperidine-1-carboxamide

N-(2-chloro-6-methylphenyl)-3-[(4-cyano-2-methoxyphenoxy)methyl]piperidine-1-carboxamide (PubChem CID 155501859) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-3-[(4-cyano-2-methoxyphenoxy)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-3-[(4-cyano-2-methoxyphenoxy)methyl]piperidine-1-carboxamide
PubChem CID155501859
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC NameN-(2-chloro-6-methylphenyl)-3-[(4-cyano-2-methoxyphenoxy)methyl]piperidine-1-carboxamide
SMILESCOc1cc(C#N)ccc1OCC1CCCN(C(=O)Nc2c(C)cccc2Cl)C1
InChIInChI=1S/C22H24ClN3O3/c1-15-5-3-7-18(23)21(15)25-22(27)26-10-4-6-17(13-26)14-29-19-9-8-16(12-24)11-20(19)28-2/h3,5,7-9,11,17H,4,6,10,13-14H2,1-2H3,(H,25,27)
InChIKeyUKUNAXRMPAUULX-UHFFFAOYSA-N
XLogP4.85
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methoxy]-3-methoxybenzonitrile
CID 155504197
4-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-3-yl]methoxy]-3-methoxybenzonitrile
CID 155503125
3-methoxy-4-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidin-3-yl]methoxy]benzonitrile
CID 155501347
3-methoxy-4-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methoxy]benzonitrile
CID 155918127
3-[(4-cyano-2-pyridinyl)oxymethyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 138988354
3-methoxy-4-[[1-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperidin-3-yl]methoxy]benzonitrile
CID 155495681
N-(2-methoxy-6-methylphenyl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide
CID 154765435
N-(5-cyano-2-methoxyphenyl)-3-hydroxypiperidine-1-carboxamide
CID 49286927
(3S)-N-(2-methoxy-6-methylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide
CID 124628067
1-N-(2-methoxy-6-methylphenyl)piperidine-1,3-dicarboxamide
CID 119053091
3-methoxy-4-[[1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]methoxy]benzonitrile
CID 155915213
3-[(2-methylphenoxy)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46991912

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-3-[(4-cyano-2-methoxyphenoxy)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-3-[(4-cyano-2-methoxyphenoxy)methyl]piperidine-1-carboxamide (CID 155501859) is N-(2-chloro-6-methylphenyl)-3-[(4-cyano-2-methoxyphenoxy)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-3-[(4-cyano-2-methoxyphenoxy)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-3-[(4-cyano-2-methoxyphenoxy)methyl]piperidine-1-carboxamide is COc1cc(C#N)ccc1OCC1CCCN(C(=O)Nc2c(C)cccc2Cl)C1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-3-[(4-cyano-2-methoxyphenoxy)methyl]piperidine-1-carboxamide?
The InChIKey is UKUNAXRMPAUULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c1-15-5-3-7-18(23)21(15)25-22(27)26-10-4-6-17(13-26)14-29-19-9-8-16(12-24)11-20(19)28-2/h3,5,7-9,11,17H,4,6,10,13-14H2,1-2H3,(H,25,27).
What are the key properties of N-(2-chloro-6-methylphenyl)-3-[(4-cyano-2-methoxyphenoxy)methyl]piperidine-1-carboxamide?
N-(2-chloro-6-methylphenyl)-3-[(4-cyano-2-methoxyphenoxy)methyl]piperidine-1-carboxamide has a molecular weight of 413.91 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-3-[(4-cyano-2-methoxyphenoxy)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 155501859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).