N-[(3-methoxyphenyl)methyl]-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]propanamide

C23H34N4O2 — CID 45221235

About N-[(3-methoxyphenyl)methyl]-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]propanamide

N-[(3-methoxyphenyl)methyl]-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]propanamide (PubChem CID 45221235) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[(3-methoxyphenyl)methyl]-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]propanamide
• PubChem CID: 45221235
• Molecular Formula: C23H34N4O2
• Molecular Weight: 398.55 g/mol
• Exact Mass: 398.27
• IUPAC Name: N-[(3-methoxyphenyl)methyl]-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]propanamide
• SMILES: COc1cccc(CNC(=O)CCC2CCCN(Cc3cc(C(C)C)n[nH]3)C2)c1
• InChI: InChI=1S/C23H34N4O2/c1-17(2)22-13-20(25-26-22)16-27-11-5-7-18(15-27)9-10-23(28)24-14-19-6-4-8-21(12-19)29-3/h4,6,8,12-13,17-18H,5,7,9-11,14-16H2,1-3H3,(H,24,28)(H,25,26)
• InChIKey: WMTWVHBZVBVRSV-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 70.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.55
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]propanamide?

The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]propanamide (CID 45221235) is N-[(3-methoxyphenyl)methyl]-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]propanamide.

What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]propanamide?

The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]propanamide is COc1cccc(CNC(=O)CCC2CCCN(Cc3cc(C(C)C)n[nH]3)C2)c1.

What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]propanamide?

The InChIKey is WMTWVHBZVBVRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-17(2)22-13-20(25-26-22)16-27-11-5-7-18(15-27)9-10-23(28)24-14-19-6-4-8-21(12-19)29-3/h4,6,8,12-13,17-18H,5,7,9-11,14-16H2,1-3H3,(H,24,28)(H,25,26).

What are the key properties of N-[(3-methoxyphenyl)methyl]-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]propanamide?

N-[(3-methoxyphenyl)methyl]-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]propanamide has a molecular weight of 398.55 g/mol, XLogP of 3.85, 9 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-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 45221235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).