N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C22H30N4O — CID 112827458

About N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 112827458) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• PubChem CID: 112827458
• Molecular Formula: C22H30N4O
• Molecular Weight: 366.51 g/mol
• Exact Mass: 366.24
• IUPAC Name: N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• SMILES: CC1CCCCN1Cc1ccccc1CNC(=O)c1n[nH]c2c1CCCC2
• InChI: InChI=1S/C22H30N4O/c1-16-8-6-7-13-26(16)15-18-10-3-2-9-17(18)14-23-22(27)21-19-11-4-5-12-20(19)24-25-21/h2-3,9-10,16H,4-8,11-15H2,1H3,(H,23,27)(H,24,25)
• InChIKey: RBYUBCDSIZOBSI-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 61.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.51
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?

The IUPAC name of N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 112827458) is N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

What is the SMILES notation for N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?

The canonical SMILES for N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CC1CCCCN1Cc1ccccc1CNC(=O)c1n[nH]c2c1CCCC2.

What is the InChIKey of N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?

The InChIKey is RBYUBCDSIZOBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-16-8-6-7-13-26(16)15-18-10-3-2-9-17(18)14-23-22(27)21-19-11-4-5-12-20(19)24-25-21/h2-3,9-10,16H,4-8,11-15H2,1H3,(H,23,27)(H,24,25).

What are the key properties of N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?

N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 112827458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).