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

C30H37ClN4O3 — CID 66616038

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

(3R)-N-[(2S)-3-(2-chlorophenyl)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxopropan-2-yl]piperidine-3-carboxamide (PubChem CID 66616038) has the molecular formula C30H37ClN4O3 and a molecular weight of 537.10 g/mol. Its IUPAC name is (3R)-N-[(2S)-3-(2-chlorophenyl)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxopropan-2-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[(2S)-3-(2-chlorophenyl)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxopropan-2-yl]piperidine-3-carboxamide
• PubChem CID: 66616038
• Molecular Formula: C30H37ClN4O3
• Molecular Weight: 537.10 g/mol
• Exact Mass: 536.26
• IUPAC Name: (3R)-N-[(2S)-3-(2-chlorophenyl)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxopropan-2-yl]piperidine-3-carboxamide
• SMILES: CC1(C)C(=O)N(C2CCN(C(=O)[C@H](Cc3ccccc3Cl)NC(=O)[C@@H]3CCCNC3)CC2)c2ccccc21
• InChI: InChI=1S/C30H37ClN4O3/c1-30(2)23-10-4-6-12-26(23)35(29(30)38)22-13-16-34(17-14-22)28(37)25(18-20-8-3-5-11-24(20)31)33-27(36)21-9-7-15-32-19-21/h3-6,8,10-12,21-22,25,32H,7,9,13-19H2,1-2H3,(H,33,36)/t21-,25+/m1/s1
• InChIKey: JMPQSGUNKHHXKE-BWKNWUBXSA-N
• XLogP: 3.68
• 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	537.10
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (3R)-N-[(2S)-3-(2-chlorophenyl)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxopropan-2-yl]piperidine-3-carboxamide (CID 66616038) is (3R)-N-[(2S)-3-(2-chlorophenyl)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxopropan-2-yl]piperidine-3-carboxamide.

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

The canonical SMILES for (3R)-N-[(2S)-3-(2-chlorophenyl)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxopropan-2-yl]piperidine-3-carboxamide is CC1(C)C(=O)N(C2CCN(C(=O)[C@H](Cc3ccccc3Cl)NC(=O)[C@@H]3CCCNC3)CC2)c2ccccc21.

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

The InChIKey is JMPQSGUNKHHXKE-BWKNWUBXSA-N. The full InChI is InChI=1S/C30H37ClN4O3/c1-30(2)23-10-4-6-12-26(23)35(29(30)38)22-13-16-34(17-14-22)28(37)25(18-20-8-3-5-11-24(20)31)33-27(36)21-9-7-15-32-19-21/h3-6,8,10-12,21-22,25,32H,7,9,13-19H2,1-2H3,(H,33,36)/t21-,25+/m1/s1.

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

(3R)-N-[(2S)-3-(2-chlorophenyl)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxopropan-2-yl]piperidine-3-carboxamide has a molecular weight of 537.10 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[(2S)-3-(2-chlorophenyl)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxopropan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 66616038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).