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

C30H37FN4O3 — CID 66616107

IUPAC(3R)-N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-3-(3-fluorophenyl)-1-oxopropan-2-yl]piperidine-3-carboxamide
SMILESCC1(C)C(=O)N(C2CCN(C(=O)[C@H](Cc3cccc(F)c3)NC(=O)[C@@H]3CCCNC3)CC2)c2ccccc21
InChIInChI=1S/C30H37FN4O3/c1-30(2)24-10-3-4-11-26(24)35(29(30)38)23-12-15-34(16-13-23)28(37)25(18-20-7-5-9-22(31)17-20)33-27(36)21-8-6-14-32-19-21/h3-5,7,9-11,17,21,23,25,32H,6,8,12-16,18-19H2,1-2H3,(H,33,36)/t21-,25+/m1/s1
InChIKeyLMUHVYYXPZOKPF-BWKNWUBXSA-N
MW520.65 g/mol
LogP3.17
Rot. Bonds6

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

(3R)-N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-3-(3-fluorophenyl)-1-oxopropan-2-yl]piperidine-3-carboxamide (PubChem CID 66616107) has the molecular formula C30H37FN4O3 and a molecular weight of 520.65 g/mol. Its IUPAC name is (3R)-N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-3-(3-fluorophenyl)-1-oxopropan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-3-(3-fluorophenyl)-1-oxopropan-2-yl]piperidine-3-carboxamide
PubChem CID66616107
Molecular FormulaC30H37FN4O3
Molecular Weight520.65 g/mol
Exact Mass520.28
IUPAC Name(3R)-N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-3-(3-fluorophenyl)-1-oxopropan-2-yl]piperidine-3-carboxamide
SMILESCC1(C)C(=O)N(C2CCN(C(=O)[C@H](Cc3cccc(F)c3)NC(=O)[C@@H]3CCCNC3)CC2)c2ccccc21
InChIInChI=1S/C30H37FN4O3/c1-30(2)24-10-3-4-11-26(24)35(29(30)38)23-12-15-34(16-13-23)28(37)25(18-20-7-5-9-22(31)17-20)33-27(36)21-8-6-14-32-19-21/h3-5,7,9-11,17,21,23,25,32H,6,8,12-16,18-19H2,1-2H3,(H,33,36)/t21-,25+/m1/s1
InChIKeyLMUHVYYXPZOKPF-BWKNWUBXSA-N
XLogP3.17
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.65
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-3-(3-fluorophenyl)-1-oxopropan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-3-(3-fluorophenyl)-1-oxopropan-2-yl]piperidine-3-carboxamide (CID 66616107) is (3R)-N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-3-(3-fluorophenyl)-1-oxopropan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-3-(3-fluorophenyl)-1-oxopropan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-3-(3-fluorophenyl)-1-oxopropan-2-yl]piperidine-3-carboxamide is CC1(C)C(=O)N(C2CCN(C(=O)[C@H](Cc3cccc(F)c3)NC(=O)[C@@H]3CCCNC3)CC2)c2ccccc21.
What is the InChIKey of (3R)-N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-3-(3-fluorophenyl)-1-oxopropan-2-yl]piperidine-3-carboxamide?
The InChIKey is LMUHVYYXPZOKPF-BWKNWUBXSA-N. The full InChI is InChI=1S/C30H37FN4O3/c1-30(2)24-10-3-4-11-26(24)35(29(30)38)23-12-15-34(16-13-23)28(37)25(18-20-7-5-9-22(31)17-20)33-27(36)21-8-6-14-32-19-21/h3-5,7,9-11,17,21,23,25,32H,6,8,12-16,18-19H2,1-2H3,(H,33,36)/t21-,25+/m1/s1.
What are the key properties of (3R)-N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-3-(3-fluorophenyl)-1-oxopropan-2-yl]piperidine-3-carboxamide?
(3R)-N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-3-(3-fluorophenyl)-1-oxopropan-2-yl]piperidine-3-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 (3R)-N-[(2S)-1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-3-(3-fluorophenyl)-1-oxopropan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 66616107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).