N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C20H28N4O2 — CID 136696915

About N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 136696915) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
• PubChem CID: 136696915
• Molecular Formula: C20H28N4O2
• Molecular Weight: 356.47 g/mol
• Exact Mass: 356.22
• IUPAC Name: N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
• SMILES: C[C@H]1CCCN(C[C@H](C)NC(=O)CCc2nc3ccccc3c(=O)[nH]2)C1
• InChI: InChI=1S/C20H28N4O2/c1-14-6-5-11-24(12-14)13-15(2)21-19(25)10-9-18-22-17-8-4-3-7-16(17)20(26)23-18/h3-4,7-8,14-15H,5-6,9-13H2,1-2H3,(H,21,25)(H,22,23,26)/t14-,15-/m0/s1
• InChIKey: KBOSIPKOOZNNNK-GJZGRUSLSA-N
• XLogP: 2.09
• TPSA: 78.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.47
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?

The IUPAC name of N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 136696915) is N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

What is the SMILES notation for N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?

The canonical SMILES for N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is C[C@H]1CCCN(C[C@H](C)NC(=O)CCc2nc3ccccc3c(=O)[nH]2)C1.

What is the InChIKey of N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?

The InChIKey is KBOSIPKOOZNNNK-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14-6-5-11-24(12-14)13-15(2)21-19(25)10-9-18-22-17-8-4-3-7-16(17)20(26)23-18/h3-4,7-8,14-15H,5-6,9-13H2,1-2H3,(H,21,25)(H,22,23,26)/t14-,15-/m0/s1.

What are the key properties of N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?

N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 356.47 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 136696915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).