(5R)-1-(cyclohexylmethyl)-5-(4-hydroxypiperidin-1-yl)-N,N-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide

C22H36N4O2 — CID 26226486

IUPAC(5R)-1-(cyclohexylmethyl)-5-(4-hydroxypiperidin-1-yl)-N,N-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@H](N1CCC(O)CC1)CC2
InChIInChI=1S/C22H36N4O2/c1-24(2)22(28)21-19-14-17(25-12-10-18(27)11-13-25)8-9-20(19)26(23-21)15-16-6-4-3-5-7-16/h16-18,27H,3-15H2,1-2H3/t17-/m1/s1
InChIKeyTTWZDVPLSAYFLI-QGZVFWFLSA-N
MW388.56 g/mol
LogP2.48
Rot. Bonds4

About (5R)-1-(cyclohexylmethyl)-5-(4-hydroxypiperidin-1-yl)-N,N-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide

(5R)-1-(cyclohexylmethyl)-5-(4-hydroxypiperidin-1-yl)-N,N-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 26226486) has the molecular formula C22H36N4O2 and a molecular weight of 388.56 g/mol. Its IUPAC name is (5R)-1-(cyclohexylmethyl)-5-(4-hydroxypiperidin-1-yl)-N,N-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name(5R)-1-(cyclohexylmethyl)-5-(4-hydroxypiperidin-1-yl)-N,N-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID26226486
Molecular FormulaC22H36N4O2
Molecular Weight388.56 g/mol
Exact Mass388.28
IUPAC Name(5R)-1-(cyclohexylmethyl)-5-(4-hydroxypiperidin-1-yl)-N,N-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@H](N1CCC(O)CC1)CC2
InChIInChI=1S/C22H36N4O2/c1-24(2)22(28)21-19-14-17(25-12-10-18(27)11-13-25)8-9-20(19)26(23-21)15-16-6-4-3-5-7-16/h16-18,27H,3-15H2,1-2H3/t17-/m1/s1
InChIKeyTTWZDVPLSAYFLI-QGZVFWFLSA-N
XLogP2.48
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-1-(cyclohexylmethyl)-5-(4-hydroxypiperidin-1-yl)-N,N-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of (5R)-1-(cyclohexylmethyl)-5-(4-hydroxypiperidin-1-yl)-N,N-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 26226486) is (5R)-1-(cyclohexylmethyl)-5-(4-hydroxypiperidin-1-yl)-N,N-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for (5R)-1-(cyclohexylmethyl)-5-(4-hydroxypiperidin-1-yl)-N,N-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for (5R)-1-(cyclohexylmethyl)-5-(4-hydroxypiperidin-1-yl)-N,N-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide is CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@H](N1CCC(O)CC1)CC2.
What is the InChIKey of (5R)-1-(cyclohexylmethyl)-5-(4-hydroxypiperidin-1-yl)-N,N-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is TTWZDVPLSAYFLI-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H36N4O2/c1-24(2)22(28)21-19-14-17(25-12-10-18(27)11-13-25)8-9-20(19)26(23-21)15-16-6-4-3-5-7-16/h16-18,27H,3-15H2,1-2H3/t17-/m1/s1.
What are the key properties of (5R)-1-(cyclohexylmethyl)-5-(4-hydroxypiperidin-1-yl)-N,N-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
(5R)-1-(cyclohexylmethyl)-5-(4-hydroxypiperidin-1-yl)-N,N-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 388.56 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(cyclohexylmethyl)-5-(4-hydroxypiperidin-1-yl)-N,N-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 26226486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).