N-cyclopropyl-3-[1-[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide

C22H30N4O3 — CID 42287246

About N-cyclopropyl-3-[1-[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide

N-cyclopropyl-3-[1-[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide (PubChem CID 42287246) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide.

Molecular Properties

• Compound Name: N-cyclopropyl-3-[1-[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide
• PubChem CID: 42287246
• Molecular Formula: C22H30N4O3
• Molecular Weight: 398.51 g/mol
• Exact Mass: 398.23
• IUPAC Name: N-cyclopropyl-3-[1-[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide
• SMILES: O=C(CCC1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1)NC1CC1
• InChI: InChI=1S/C22H30N4O3/c27-20(24-18-5-6-18)7-4-16-8-11-25(12-9-16)22(29)17-13-21(28)26(14-17)15-19-3-1-2-10-23-19/h1-3,10,16-18H,4-9,11-15H2,(H,24,27)/t17-/m0/s1
• InChIKey: ZFYKJGVJAZYRIK-KRWDZBQOSA-N
• XLogP: 1.73
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.51
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide?

The IUPAC name of N-cyclopropyl-3-[1-[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide (CID 42287246) is N-cyclopropyl-3-[1-[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide.

What is the SMILES notation for N-cyclopropyl-3-[1-[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide?

The canonical SMILES for N-cyclopropyl-3-[1-[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide is O=C(CCC1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1)NC1CC1.

What is the InChIKey of N-cyclopropyl-3-[1-[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide?

The InChIKey is ZFYKJGVJAZYRIK-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H30N4O3/c27-20(24-18-5-6-18)7-4-16-8-11-25(12-9-16)22(29)17-13-21(28)26(14-17)15-19-3-1-2-10-23-19/h1-3,10,16-18H,4-9,11-15H2,(H,24,27)/t17-/m0/s1.

What are the key properties of N-cyclopropyl-3-[1-[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide?

N-cyclopropyl-3-[1-[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide has a molecular weight of 398.51 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-3-[1-[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 42287246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).