[(3S)-3-cyclopentyl-4-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone

C33H39FN2O — CID 142015693

About [(3S)-3-cyclopentyl-4-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone

[(3S)-3-cyclopentyl-4-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone (PubChem CID 142015693) has the molecular formula C33H39FN2O and a molecular weight of 498.69 g/mol. Its IUPAC name is [(3S)-3-cyclopentyl-4-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

• Compound Name: [(3S)-3-cyclopentyl-4-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone
• PubChem CID: 142015693
• Molecular Formula: C33H39FN2O
• Molecular Weight: 498.69 g/mol
• Exact Mass: 498.30
• IUPAC Name: [(3S)-3-cyclopentyl-4-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone
• SMILES: O=C(c1cccc2ccccc12)N1CC(CCN2CCC(c3ccc(F)cc3)CC2)[C@H](C2CCCC2)C1
• InChI: InChI=1S/C33H39FN2O/c34-29-14-12-24(13-15-29)25-16-19-35(20-17-25)21-18-28-22-36(23-32(28)27-7-1-2-8-27)33(37)31-11-5-9-26-6-3-4-10-30(26)31/h3-6,9-15,25,27-28,32H,1-2,7-8,16-23H2/t28?,32-/m0/s1
• InChIKey: IIWOJEXZDXEMIB-YYMSGCCCSA-N
• XLogP: 7.13
• TPSA: 23.55 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.69
LogP ≤ 5	7.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-cyclopentyl-4-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone?

The IUPAC name of [(3S)-3-cyclopentyl-4-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone (CID 142015693) is [(3S)-3-cyclopentyl-4-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone.

What is the SMILES notation for [(3S)-3-cyclopentyl-4-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone?

The canonical SMILES for [(3S)-3-cyclopentyl-4-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone is O=C(c1cccc2ccccc12)N1CC(CCN2CCC(c3ccc(F)cc3)CC2)[C@H](C2CCCC2)C1.

What is the InChIKey of [(3S)-3-cyclopentyl-4-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone?

The InChIKey is IIWOJEXZDXEMIB-YYMSGCCCSA-N. The full InChI is InChI=1S/C33H39FN2O/c34-29-14-12-24(13-15-29)25-16-19-35(20-17-25)21-18-28-22-36(23-32(28)27-7-1-2-8-27)33(37)31-11-5-9-26-6-3-4-10-30(26)31/h3-6,9-15,25,27-28,32H,1-2,7-8,16-23H2/t28?,32-/m0/s1.

What are the key properties of [(3S)-3-cyclopentyl-4-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone?

[(3S)-3-cyclopentyl-4-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 498.69 g/mol, XLogP of 7.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-3-cyclopentyl-4-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 142015693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).