[4-(4-chlorophenyl)piperidin-1-yl]-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone

C20H24ClN3O — CID 166254381

IUPAC[4-(4-chlorophenyl)piperidin-1-yl]-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
SMILESCC1c2cn[nH]c2CCC1C(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H24ClN3O/c1-13-17(6-7-19-18(13)12-22-23-19)20(25)24-10-8-15(9-11-24)14-2-4-16(21)5-3-14/h2-5,12-13,15,17H,6-11H2,1H3,(H,22,23)
InChIKeyIUORXSAKVYJAGH-UHFFFAOYSA-N
MW357.88 g/mol
LogP4.14
Rot. Bonds2

About [4-(4-chlorophenyl)piperidin-1-yl]-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone

[4-(4-chlorophenyl)piperidin-1-yl]-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone (PubChem CID 166254381) has the molecular formula C20H24ClN3O and a molecular weight of 357.88 g/mol. Its IUPAC name is [4-(4-chlorophenyl)piperidin-1-yl]-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)piperidin-1-yl]-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
PubChem CID166254381
Molecular FormulaC20H24ClN3O
Molecular Weight357.88 g/mol
Exact Mass357.16
IUPAC Name[4-(4-chlorophenyl)piperidin-1-yl]-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
SMILESCC1c2cn[nH]c2CCC1C(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H24ClN3O/c1-13-17(6-7-19-18(13)12-22-23-19)20(25)24-10-8-15(9-11-24)14-2-4-16(21)5-3-14/h2-5,12-13,15,17H,6-11H2,1H3,(H,22,23)
InChIKeyIUORXSAKVYJAGH-UHFFFAOYSA-N
XLogP4.14
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(4-chlorophenyl)piperidin-1-yl]-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone with MolForge

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Related Compounds

azetidin-1-yl-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
CID 166254151
[3-(4-chlorophenyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 75497061
(6R)-6-[4-(4-chlorophenyl)piperidine-1-carbonyl]-7-methyl-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one
CID 163980885
2-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82134062
cis-(1S,2R)-2-[4-(5-methyl-1H-pyrazol-4-yl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 167872863
4-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole
CID 71128963
(4-chlorophenyl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
CID 15290353
2,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[d]azepin-3-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
CID 155961845
[2-(4-chloro-2-fluorophenyl)cyclobutyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 146092021
2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-2-cyclopropylethanone
CID 76725285
4-[1-(2-methylcyclobutanecarbonyl)piperidin-4-yl]benzonitrile
CID 174892501
1H-indazol-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 166207032

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)piperidin-1-yl]-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone?
The IUPAC name of [4-(4-chlorophenyl)piperidin-1-yl]-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone (CID 166254381) is [4-(4-chlorophenyl)piperidin-1-yl]-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)piperidin-1-yl]-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)piperidin-1-yl]-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone is CC1c2cn[nH]c2CCC1C(=O)N1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)piperidin-1-yl]-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone?
The InChIKey is IUORXSAKVYJAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-13-17(6-7-19-18(13)12-22-23-19)20(25)24-10-8-15(9-11-24)14-2-4-16(21)5-3-14/h2-5,12-13,15,17H,6-11H2,1H3,(H,22,23).
What are the key properties of [4-(4-chlorophenyl)piperidin-1-yl]-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone?
[4-(4-chlorophenyl)piperidin-1-yl]-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone has a molecular weight of 357.88 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)piperidin-1-yl]-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone is sourced from PubChem (CID 166254381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).