5-[(1-benzylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide

C28H41N5O — CID 45163406

IUPAC5-[(1-benzylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCNC(=O)c1nn(CC2CCCCC2)c2c1CC(NC1CCN(Cc3ccccc3)CC1)CC2
InChIInChI=1S/C28H41N5O/c1-29-28(34)27-25-18-24(12-13-26(25)33(31-27)20-22-10-6-3-7-11-22)30-23-14-16-32(17-15-23)19-21-8-4-2-5-9-21/h2,4-5,8-9,22-24,30H,3,6-7,10-20H2,1H3,(H,29,34)
InChIKeyRLNRLYIUNFOXJP-UHFFFAOYSA-N
MW463.67 g/mol
LogP3.93
Rot. Bonds7

About 5-[(1-benzylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide

5-[(1-benzylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 45163406) has the molecular formula C28H41N5O and a molecular weight of 463.67 g/mol. Its IUPAC name is 5-[(1-benzylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name5-[(1-benzylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID45163406
Molecular FormulaC28H41N5O
Molecular Weight463.67 g/mol
Exact Mass463.33
IUPAC Name5-[(1-benzylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCNC(=O)c1nn(CC2CCCCC2)c2c1CC(NC1CCN(Cc3ccccc3)CC1)CC2
InChIInChI=1S/C28H41N5O/c1-29-28(34)27-25-18-24(12-13-26(25)33(31-27)20-22-10-6-3-7-11-22)30-23-14-16-32(17-15-23)19-21-8-4-2-5-9-21/h2,4-5,8-9,22-24,30H,3,6-7,10-20H2,1H3,(H,29,34)
InChIKeyRLNRLYIUNFOXJP-UHFFFAOYSA-N
XLogP3.93
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.67
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(1-benzylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-benzylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 5-[(1-benzylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 45163406) is 5-[(1-benzylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 5-[(1-benzylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 5-[(1-benzylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide is CNC(=O)c1nn(CC2CCCCC2)c2c1CC(NC1CCN(Cc3ccccc3)CC1)CC2.
What is the InChIKey of 5-[(1-benzylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is RLNRLYIUNFOXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N5O/c1-29-28(34)27-25-18-24(12-13-26(25)33(31-27)20-22-10-6-3-7-11-22)30-23-14-16-32(17-15-23)19-21-8-4-2-5-9-21/h2,4-5,8-9,22-24,30H,3,6-7,10-20H2,1H3,(H,29,34).
What are the key properties of 5-[(1-benzylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
5-[(1-benzylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 463.67 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-benzylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 45163406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).