N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]propanamide

C24H32N4O3 — CID 42515116

About N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]propanamide

N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]propanamide (PubChem CID 42515116) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]propanamide
• PubChem CID: 42515116
• Molecular Formula: C24H32N4O3
• Molecular Weight: 424.55 g/mol
• Exact Mass: 424.25
• IUPAC Name: N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]propanamide
• SMILES: COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)c1
• InChI: InChI=1S/C24H32N4O3/c1-31-19-8-4-6-18(14-19)15-25-22(29)12-11-17-7-5-13-28(16-17)24(30)23-20-9-2-3-10-21(20)26-27-23/h4,6,8,14,17H,2-3,5,7,9-13,15-16H2,1H3,(H,25,29)(H,26,27)/t17-/m1/s1
• InChIKey: KTHOQDGUZXNCOL-QGZVFWFLSA-N
• XLogP: 3.25
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.55
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]propanamide?

The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]propanamide (CID 42515116) is N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]propanamide.

What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]propanamide?

The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]propanamide is COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)c1.

What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]propanamide?

The InChIKey is KTHOQDGUZXNCOL-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-31-19-8-4-6-18(14-19)15-25-22(29)12-11-17-7-5-13-28(16-17)24(30)23-20-9-2-3-10-21(20)26-27-23/h4,6,8,14,17H,2-3,5,7,9-13,15-16H2,1H3,(H,25,29)(H,26,27)/t17-/m1/s1.

What are the key properties of N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]propanamide?

N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]propanamide has a molecular weight of 424.55 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 42515116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).