1-[2-[4-[(4S,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C17H25N5O5 — CID 110122724

IUPAC1-[2-[4-[(4S,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESO=C1CN(CC(=O)N2CCC([C@@H]3NC(=O)N[C@H]4OCCC[C@H]43)CC2)C(=O)N1
InChIInChI=1S/C17H25N5O5/c23-12-8-22(17(26)18-12)9-13(24)21-5-3-10(4-6-21)14-11-2-1-7-27-15(11)20-16(25)19-14/h10-11,14-15H,1-9H2,(H,18,23,26)(H2,19,20,25)/t11-,14-,15-/m0/s1
InChIKeyKFRIUKVLBCYXQM-CQDKDKBSSA-N
MW379.42 g/mol
LogP-0.79
Rot. Bonds3

About 1-[2-[4-[(4S,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

1-[2-[4-[(4S,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 110122724) has the molecular formula C17H25N5O5 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-[2-[4-[(4S,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[4-[(4S,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID110122724
Molecular FormulaC17H25N5O5
Molecular Weight379.42 g/mol
Exact Mass379.19
IUPAC Name1-[2-[4-[(4S,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESO=C1CN(CC(=O)N2CCC([C@@H]3NC(=O)N[C@H]4OCCC[C@H]43)CC2)C(=O)N1
InChIInChI=1S/C17H25N5O5/c23-12-8-22(17(26)18-12)9-13(24)21-5-3-10(4-6-21)14-11-2-1-7-27-15(11)20-16(25)19-14/h10-11,14-15H,1-9H2,(H,18,23,26)(H2,19,20,25)/t11-,14-,15-/m0/s1
InChIKeyKFRIUKVLBCYXQM-CQDKDKBSSA-N
XLogP-0.79
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-[4-[(4S,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

(4S,4aS,8aS)-4-piperidin-4-yl-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-2-one
CID 110142422
1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 96513072
1-[2-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 102554512
1-[2-(3,5-dioxopiperazin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 66084548
1-[2-oxo-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]ethyl]azepan-2-one
CID 9463067
1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 54878752
1-[2-(oxolan-2-ylmethylsulfonyl)acetyl]piperidin-4-one
CID 113356585
1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-4-carboxamide
CID 110689906
1-(2-chloroprop-2-enyl)imidazolidine-2,4-dione
CID 15406720
4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione
CID 66084891
1-[2-oxo-2-[3-oxo-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethyl]pyrimidine-2,4-dione
CID 72853609
1-[2-(oxolan-2-yl)acetyl]-1,4-diazepan-5-one
CID 62045065

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(4S,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[2-[4-[(4S,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 110122724) is 1-[2-[4-[(4S,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[2-[4-[(4S,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[2-[4-[(4S,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is O=C1CN(CC(=O)N2CCC([C@@H]3NC(=O)N[C@H]4OCCC[C@H]43)CC2)C(=O)N1.
What is the InChIKey of 1-[2-[4-[(4S,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is KFRIUKVLBCYXQM-CQDKDKBSSA-N. The full InChI is InChI=1S/C17H25N5O5/c23-12-8-22(17(26)18-12)9-13(24)21-5-3-10(4-6-21)14-11-2-1-7-27-15(11)20-16(25)19-14/h10-11,14-15H,1-9H2,(H,18,23,26)(H2,19,20,25)/t11-,14-,15-/m0/s1.
What are the key properties of 1-[2-[4-[(4S,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
1-[2-[4-[(4S,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 379.42 g/mol, XLogP of -0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(4S,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 110122724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).