(2S,4S)-4-methyl-N-[[3-methyl-1-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]pyrrolidin-3-yl]methyl]-6-oxopiperidine-2-carboxamide

C20H32N4O4 — CID 128526700

IUPAC(2S,4S)-4-methyl-N-[[3-methyl-1-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]pyrrolidin-3-yl]methyl]-6-oxopiperidine-2-carboxamide
SMILESC[C@@H]1CC(=O)N[C@H](C(=O)NCC2(C)CCN(C(=O)[C@@H]3C[C@H](C)CC(=O)N3)C2)C1
InChIInChI=1S/C20H32N4O4/c1-12-6-14(22-16(25)8-12)18(27)21-10-20(3)4-5-24(11-20)19(28)15-7-13(2)9-17(26)23-15/h12-15H,4-11H2,1-3H3,(H,21,27)(H,22,25)(H,23,26)/t12-,13-,14-,15-,20?/m0/s1
InChIKeyZEEYYVUHXIIYEL-WVWZCNSGSA-N
MW392.50 g/mol
LogP0.17
Rot. Bonds4

About (2S,4S)-4-methyl-N-[[3-methyl-1-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]pyrrolidin-3-yl]methyl]-6-oxopiperidine-2-carboxamide

(2S,4S)-4-methyl-N-[[3-methyl-1-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]pyrrolidin-3-yl]methyl]-6-oxopiperidine-2-carboxamide (PubChem CID 128526700) has the molecular formula C20H32N4O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is (2S,4S)-4-methyl-N-[[3-methyl-1-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]pyrrolidin-3-yl]methyl]-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-methyl-N-[[3-methyl-1-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]pyrrolidin-3-yl]methyl]-6-oxopiperidine-2-carboxamide
PubChem CID128526700
Molecular FormulaC20H32N4O4
Molecular Weight392.50 g/mol
Exact Mass392.24
IUPAC Name(2S,4S)-4-methyl-N-[[3-methyl-1-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]pyrrolidin-3-yl]methyl]-6-oxopiperidine-2-carboxamide
SMILESC[C@@H]1CC(=O)N[C@H](C(=O)NCC2(C)CCN(C(=O)[C@@H]3C[C@H](C)CC(=O)N3)C2)C1
InChIInChI=1S/C20H32N4O4/c1-12-6-14(22-16(25)8-12)18(27)21-10-20(3)4-5-24(11-20)19(28)15-7-13(2)9-17(26)23-15/h12-15H,4-11H2,1-3H3,(H,21,27)(H,22,25)(H,23,26)/t12-,13-,14-,15-,20?/m0/s1
InChIKeyZEEYYVUHXIIYEL-WVWZCNSGSA-N
XLogP0.17
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-4-methyl-N-[[3-methyl-1-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]pyrrolidin-3-yl]methyl]-6-oxopiperidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methyl-N-[[3-methyl-1-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]pyrrolidin-3-yl]methyl]-6-oxopiperidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-methyl-N-[[3-methyl-1-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]pyrrolidin-3-yl]methyl]-6-oxopiperidine-2-carboxamide (CID 128526700) is (2S,4S)-4-methyl-N-[[3-methyl-1-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]pyrrolidin-3-yl]methyl]-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-methyl-N-[[3-methyl-1-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]pyrrolidin-3-yl]methyl]-6-oxopiperidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-methyl-N-[[3-methyl-1-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]pyrrolidin-3-yl]methyl]-6-oxopiperidine-2-carboxamide is C[C@@H]1CC(=O)N[C@H](C(=O)NCC2(C)CCN(C(=O)[C@@H]3C[C@H](C)CC(=O)N3)C2)C1.
What is the InChIKey of (2S,4S)-4-methyl-N-[[3-methyl-1-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]pyrrolidin-3-yl]methyl]-6-oxopiperidine-2-carboxamide?
The InChIKey is ZEEYYVUHXIIYEL-WVWZCNSGSA-N. The full InChI is InChI=1S/C20H32N4O4/c1-12-6-14(22-16(25)8-12)18(27)21-10-20(3)4-5-24(11-20)19(28)15-7-13(2)9-17(26)23-15/h12-15H,4-11H2,1-3H3,(H,21,27)(H,22,25)(H,23,26)/t12-,13-,14-,15-,20?/m0/s1.
What are the key properties of (2S,4S)-4-methyl-N-[[3-methyl-1-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]pyrrolidin-3-yl]methyl]-6-oxopiperidine-2-carboxamide?
(2S,4S)-4-methyl-N-[[3-methyl-1-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]pyrrolidin-3-yl]methyl]-6-oxopiperidine-2-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methyl-N-[[3-methyl-1-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]pyrrolidin-3-yl]methyl]-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 128526700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).