N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]propanamide

C20H33N5O2 — CID 42458687

About N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]propanamide

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]propanamide (PubChem CID 42458687) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]propanamide.

Molecular Properties

• Compound Name: N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]propanamide
• PubChem CID: 42458687
• Molecular Formula: C20H33N5O2
• Molecular Weight: 375.52 g/mol
• Exact Mass: 375.26
• IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]propanamide
• SMILES: CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)Cn2cccn2)CC1
• InChI: InChI=1S/C20H33N5O2/c1-2-23-11-3-5-18(23)15-21-19(26)7-6-17-8-13-24(14-9-17)20(27)16-25-12-4-10-22-25/h4,10,12,17-18H,2-3,5-9,11,13-16H2,1H3,(H,21,26)/t18-/m0/s1
• InChIKey: ZMBGUTPPRWWAOY-SFHVURJKSA-N
• XLogP: 1.50
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.52
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]propanamide?

The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]propanamide (CID 42458687) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]propanamide.

What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]propanamide?

The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]propanamide is CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)Cn2cccn2)CC1.

What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]propanamide?

The InChIKey is ZMBGUTPPRWWAOY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-2-23-11-3-5-18(23)15-21-19(26)7-6-17-8-13-24(14-9-17)20(27)16-25-12-4-10-22-25/h4,10,12,17-18H,2-3,5-9,11,13-16H2,1H3,(H,21,26)/t18-/m0/s1.

What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]propanamide?

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]propanamide has a molecular weight of 375.52 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 42458687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).