8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2R)-2-prop-1-en-2-ylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one

C32H47FN4O — CID 163463547

About 8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2R)-2-prop-1-en-2-ylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one

8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2R)-2-prop-1-en-2-ylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 163463547) has the molecular formula C32H47FN4O and a molecular weight of 522.75 g/mol. Its IUPAC name is 8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2R)-2-prop-1-en-2-ylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

• Compound Name: 8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2R)-2-prop-1-en-2-ylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one
• PubChem CID: 163463547
• Molecular Formula: C32H47FN4O
• Molecular Weight: 522.75 g/mol
• Exact Mass: 522.37
• IUPAC Name: 8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2R)-2-prop-1-en-2-ylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one
• SMILES: C=C(C)[C@H]1CCCN1C1CCN(c2ccc(N3CCC4(CCN(CC5CCCC5)CC4)C3=O)c(F)c2)CC1
• InChI: InChI=1S/C32H47FN4O/c1-24(2)29-8-5-16-36(29)26-11-17-35(18-12-26)27-9-10-30(28(33)22-27)37-21-15-32(31(37)38)13-19-34(20-14-32)23-25-6-3-4-7-25/h9-10,22,25-26,29H,1,3-8,11-21,23H2,2H3/t29-/m1/s1
• InChIKey: BQPQGTISZPVJPN-GDLZYMKVSA-N
• XLogP: 5.84
• TPSA: 30.03 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.75
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2R)-2-prop-1-en-2-ylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one?

The IUPAC name of 8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2R)-2-prop-1-en-2-ylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one (CID 163463547) is 8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2R)-2-prop-1-en-2-ylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one.

What is the SMILES notation for 8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2R)-2-prop-1-en-2-ylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one?

The canonical SMILES for 8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2R)-2-prop-1-en-2-ylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one is C=C(C)[C@H]1CCCN1C1CCN(c2ccc(N3CCC4(CCN(CC5CCCC5)CC4)C3=O)c(F)c2)CC1.

What is the InChIKey of 8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2R)-2-prop-1-en-2-ylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one?

The InChIKey is BQPQGTISZPVJPN-GDLZYMKVSA-N. The full InChI is InChI=1S/C32H47FN4O/c1-24(2)29-8-5-16-36(29)26-11-17-35(18-12-26)27-9-10-30(28(33)22-27)37-21-15-32(31(37)38)13-19-34(20-14-32)23-25-6-3-4-7-25/h9-10,22,25-26,29H,1,3-8,11-21,23H2,2H3/t29-/m1/s1.

What are the key properties of 8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2R)-2-prop-1-en-2-ylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one?

8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2R)-2-prop-1-en-2-ylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 522.75 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2R)-2-prop-1-en-2-ylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 163463547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).