(5S)-5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C16H26N4O4 — CID 98890419

IUPAC(5S)-5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESC[C@@H]1CN(C2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)C[C@H](C)O1
InChIInChI=1S/C16H26N4O4/c1-10-8-20(9-11(2)24-10)12-3-5-19(6-4-12)14(21)7-13-15(22)18-16(23)17-13/h10-13H,3-9H2,1-2H3,(H2,17,18,22,23)/t10-,11+,13-/m0/s1
InChIKeyAMCNNKJKFDOZPN-LOWVWBTDSA-N
MW338.41 g/mol
LogP-0.32
Rot. Bonds3

About (5S)-5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

(5S)-5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 98890419) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is (5S)-5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID98890419
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Name(5S)-5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESC[C@@H]1CN(C2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)C[C@H](C)O1
InChIInChI=1S/C16H26N4O4/c1-10-8-20(9-11(2)24-10)12-3-5-19(6-4-12)14(21)7-13-15(22)18-16(23)17-13/h10-13H,3-9H2,1-2H3,(H2,17,18,22,23)/t10-,11+,13-/m0/s1
InChIKeyAMCNNKJKFDOZPN-LOWVWBTDSA-N
XLogP-0.32
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

US11179399, Example 10
CID 163199996
5-(2-(Morpholin-4-yl)-2-oxoethyl)imidazolidine-2,4-dione
CID 4737195
1-[(4R,7S,8aS)-4-(3-morpholin-4-yl-3-oxopropyl)-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-propan-2-ylurea
CID 26762675
(5S)-5-[2-(4-ethoxypiperidin-1-yl)-2-oxoethyl]-3-propylimidazolidine-2,4-dione
CID 125516377
5-[4-(Morpholine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 14053773
N-[1-(2-ethoxypropanoylamino)ethyl]-2-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide
CID 58340893
2-[(3R)-3-(methylamino)-2-oxopiperidin-1-yl]-2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]acetaldehyde
CID 87870525
2-(2,5-dioxopyrrolidin-1-yl)-N-[1-[3-(2-methoxypropanoylamino)propanoylamino]ethyl]propanamide
CID 88940721
2-ethoxy-N-[1-[3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethyl]propanamide
CID 89425548
N-ethyl-4-morpholin-4-yl-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxamide
CID 123572033
1-Methyl-3-morpholin-4-yl-3,4-di(piperazin-1-yl)-4-piperidin-1-ylpyrrolidine-2,5-dione
CID 149253274
3-Morpholin-4-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 152695543

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 98890419) is (5S)-5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is C[C@@H]1CN(C2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)C[C@H](C)O1.
What is the InChIKey of (5S)-5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is AMCNNKJKFDOZPN-LOWVWBTDSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-10-8-20(9-11(2)24-10)12-3-5-19(6-4-12)14(21)7-13-15(22)18-16(23)17-13/h10-13H,3-9H2,1-2H3,(H2,17,18,22,23)/t10-,11+,13-/m0/s1.
What are the key properties of (5S)-5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
(5S)-5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 338.41 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 98890419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).