N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide

C25H38FN5O — CID 25310727

About N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide

N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide (PubChem CID 25310727) has the molecular formula C25H38FN5O and a molecular weight of 443.61 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide
• PubChem CID: 25310727
• Molecular Formula: C25H38FN5O
• Molecular Weight: 443.61 g/mol
• Exact Mass: 443.31
• IUPAC Name: N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide
• SMILES: Cc1cc(C)n(CCC(=O)N(CCN(C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)n1
• InChI: InChI=1S/C25H38FN5O/c1-20-16-21(2)31(27-20)13-11-25(32)30(15-14-28(3)4)18-22-8-7-12-29(17-22)19-23-9-5-6-10-24(23)26/h5-6,9-10,16,22H,7-8,11-15,17-19H2,1-4H3/t22-/m1/s1
• InChIKey: CYHFQIBFNIRGFI-JOCHJYFZSA-N
• XLogP: 3.33
• TPSA: 44.61 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.61
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide (CID 25310727) is N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide is Cc1cc(C)n(CCC(=O)N(CCN(C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)n1.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide?

The InChIKey is CYHFQIBFNIRGFI-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H38FN5O/c1-20-16-21(2)31(27-20)13-11-25(32)30(15-14-28(3)4)18-22-8-7-12-29(17-22)19-23-9-5-6-10-24(23)26/h5-6,9-10,16,22H,7-8,11-15,17-19H2,1-4H3/t22-/m1/s1.

What are the key properties of N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide?

N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide has a molecular weight of 443.61 g/mol, XLogP of 3.33, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide is sourced from PubChem (CID 25310727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).