(3R)-1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide

C25H42N4O4 — CID 52518493

About (3R)-1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide

(3R)-1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide (PubChem CID 52518493) has the molecular formula C25H42N4O4 and a molecular weight of 462.64 g/mol. Its IUPAC name is (3R)-1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
• PubChem CID: 52518493
• Molecular Formula: C25H42N4O4
• Molecular Weight: 462.64 g/mol
• Exact Mass: 462.32
• IUPAC Name: (3R)-1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
• SMILES: CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)C1
• InChI: InChI=1S/C25H42N4O4/c1-6-8-17(2)26-21(31)18-9-7-14-28(15-18)20(30)16-29-22(32)25(27-23(29)33)12-10-19(11-13-25)24(3,4)5/h17-19H,6-16H2,1-5H3,(H,26,31)(H,27,33)/t17-,18+,19?,25?/m0/s1
• InChIKey: AFITXZBDFHPHCZ-VPWCAYSUSA-N
• XLogP: 3.06
• TPSA: 98.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.64
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide?

The IUPAC name of (3R)-1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide (CID 52518493) is (3R)-1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide is CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)C1.

What is the InChIKey of (3R)-1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide?

The InChIKey is AFITXZBDFHPHCZ-VPWCAYSUSA-N. The full InChI is InChI=1S/C25H42N4O4/c1-6-8-17(2)26-21(31)18-9-7-14-28(15-18)20(30)16-29-22(32)25(27-23(29)33)12-10-19(11-13-25)24(3,4)5/h17-19H,6-16H2,1-5H3,(H,26,31)(H,27,33)/t17-,18+,19?,25?/m0/s1.

What are the key properties of (3R)-1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide?

(3R)-1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide has a molecular weight of 462.64 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 52518493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).