(3S)-1-[2-[(3R)-5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-3-carboxamide

C23H24N4O4 — CID 9268030

About (3S)-1-[2-[(3R)-5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-3-carboxamide

(3S)-1-[2-[(3R)-5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 9268030) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is (3S)-1-[2-[(3R)-5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-1-[2-[(3R)-5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-3-carboxamide
• PubChem CID: 9268030
• Molecular Formula: C23H24N4O4
• Molecular Weight: 420.47 g/mol
• Exact Mass: 420.18
• IUPAC Name: (3S)-1-[2-[(3R)-5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-3-carboxamide
• SMILES: NC(=O)[C@H]1CCCN(CC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)C1
• InChI: InChI=1S/C23H24N4O4/c24-23(29)16-6-3-9-26(13-16)14-22(28)27-18(20-8-4-10-30-20)12-17(25-27)21-11-15-5-1-2-7-19(15)31-21/h1-2,4-5,7-8,10-11,16,18H,3,6,9,12-14H2,(H2,24,29)/t16-,18+/m0/s1
• InChIKey: GIAUZXRYCJMIFS-FUHWJXTLSA-N
• XLogP: 2.90
• TPSA: 105.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.47
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[(3R)-5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-3-carboxamide?

The IUPAC name of (3S)-1-[2-[(3R)-5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-3-carboxamide (CID 9268030) is (3S)-1-[2-[(3R)-5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-3-carboxamide.

What is the SMILES notation for (3S)-1-[2-[(3R)-5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-3-carboxamide?

The canonical SMILES for (3S)-1-[2-[(3R)-5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(CC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)C1.

What is the InChIKey of (3S)-1-[2-[(3R)-5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-3-carboxamide?

The InChIKey is GIAUZXRYCJMIFS-FUHWJXTLSA-N. The full InChI is InChI=1S/C23H24N4O4/c24-23(29)16-6-3-9-26(13-16)14-22(28)27-18(20-8-4-10-30-20)12-17(25-27)21-11-15-5-1-2-7-19(15)31-21/h1-2,4-5,7-8,10-11,16,18H,3,6,9,12-14H2,(H2,24,29)/t16-,18+/m0/s1.

What are the key properties of (3S)-1-[2-[(3R)-5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-3-carboxamide?

(3S)-1-[2-[(3R)-5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-[2-[(3R)-5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 9268030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).