N-(5-chloro-2-methoxyphenyl)-3-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-3-yl]propanamide

C22H29ClN4O3 — CID 45191588

About N-(5-chloro-2-methoxyphenyl)-3-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-3-yl]propanamide

N-(5-chloro-2-methoxyphenyl)-3-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-3-yl]propanamide (PubChem CID 45191588) has the molecular formula C22H29ClN4O3 and a molecular weight of 432.95 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-methoxyphenyl)-3-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-3-yl]propanamide
• PubChem CID: 45191588
• Molecular Formula: C22H29ClN4O3
• Molecular Weight: 432.95 g/mol
• Exact Mass: 432.19
• IUPAC Name: N-(5-chloro-2-methoxyphenyl)-3-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-3-yl]propanamide
• SMILES: COc1ccc(Cl)cc1NC(=O)CCC1CCCN(C(=O)Cn2nc(C)cc2C)C1
• InChI: InChI=1S/C22H29ClN4O3/c1-15-11-16(2)27(25-15)14-22(29)26-10-4-5-17(13-26)6-9-21(28)24-19-12-18(23)7-8-20(19)30-3/h7-8,11-12,17H,4-6,9-10,13-14H2,1-3H3,(H,24,28)
• InChIKey: BAJLNNAIZCWNEP-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.95
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-3-yl]propanamide?

The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-3-yl]propanamide (CID 45191588) is N-(5-chloro-2-methoxyphenyl)-3-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-3-yl]propanamide.

What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-3-yl]propanamide?

The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-3-yl]propanamide is COc1ccc(Cl)cc1NC(=O)CCC1CCCN(C(=O)Cn2nc(C)cc2C)C1.

What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-3-yl]propanamide?

The InChIKey is BAJLNNAIZCWNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN4O3/c1-15-11-16(2)27(25-15)14-22(29)26-10-4-5-17(13-26)6-9-21(28)24-19-12-18(23)7-8-20(19)30-3/h7-8,11-12,17H,4-6,9-10,13-14H2,1-3H3,(H,24,28).

What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-3-yl]propanamide?

N-(5-chloro-2-methoxyphenyl)-3-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-3-yl]propanamide has a molecular weight of 432.95 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-methoxyphenyl)-3-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 45191588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).