N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]piperidine-4-carboxamide

C30H37FN4O3 — CID 90096588

About N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]piperidine-4-carboxamide

N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]piperidine-4-carboxamide (PubChem CID 90096588) has the molecular formula C30H37FN4O3 and a molecular weight of 520.65 g/mol. Its IUPAC name is N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]piperidine-4-carboxamide
• PubChem CID: 90096588
• Molecular Formula: C30H37FN4O3
• Molecular Weight: 520.65 g/mol
• Exact Mass: 520.28
• IUPAC Name: N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]piperidine-4-carboxamide
• SMILES: CC1(C)C(=O)N(C2CCN(C(=O)[C@H](Cc3ccccc3F)NC(=O)C3CCNCC3)CC2)c2ccccc21
• InChI: InChI=1S/C30H37FN4O3/c1-30(2)23-8-4-6-10-26(23)35(29(30)38)22-13-17-34(18-14-22)28(37)25(19-21-7-3-5-9-24(21)31)33-27(36)20-11-15-32-16-12-20/h3-10,20,22,25,32H,11-19H2,1-2H3,(H,33,36)/t25-/m0/s1
• InChIKey: PADXATLUTACXAZ-VWLOTQADSA-N
• XLogP: 3.17
• TPSA: 81.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.65
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]piperidine-4-carboxamide?

The IUPAC name of N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]piperidine-4-carboxamide (CID 90096588) is N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]piperidine-4-carboxamide.

What is the SMILES notation for N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]piperidine-4-carboxamide?

The canonical SMILES for N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]piperidine-4-carboxamide is CC1(C)C(=O)N(C2CCN(C(=O)[C@H](Cc3ccccc3F)NC(=O)C3CCNCC3)CC2)c2ccccc21.

What is the InChIKey of N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]piperidine-4-carboxamide?

The InChIKey is PADXATLUTACXAZ-VWLOTQADSA-N. The full InChI is InChI=1S/C30H37FN4O3/c1-30(2)23-8-4-6-10-26(23)35(29(30)38)22-13-17-34(18-14-22)28(37)25(19-21-7-3-5-9-24(21)31)33-27(36)20-11-15-32-16-12-20/h3-10,20,22,25,32H,11-19H2,1-2H3,(H,33,36)/t25-/m0/s1.

What are the key properties of N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]piperidine-4-carboxamide?

N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]piperidine-4-carboxamide has a molecular weight of 520.65 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 90096588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).