(5S)-3,5-dimethyl-5-[(3S)-1-[(1R)-1-pyridin-3-ylethyl]piperidin-3-yl]imidazolidine-2,4-dione

C17H24N4O2 — CID 98791548

IUPAC(5S)-3,5-dimethyl-5-[(3S)-1-[(1R)-1-pyridin-3-ylethyl]piperidin-3-yl]imidazolidine-2,4-dione
SMILESC[C@H](c1cccnc1)N1CCC[C@H]([C@]2(C)NC(=O)N(C)C2=O)C1
InChIInChI=1S/C17H24N4O2/c1-12(13-6-4-8-18-10-13)21-9-5-7-14(11-21)17(2)15(22)20(3)16(23)19-17/h4,6,8,10,12,14H,5,7,9,11H2,1-3H3,(H,19,23)/t12-,14+,17+/m1/s1
InChIKeyYENIODIGEGUDNM-IFIJOSMWSA-N
MW316.40 g/mol
LogP1.79
Rot. Bonds3

About (5S)-3,5-dimethyl-5-[(3S)-1-[(1R)-1-pyridin-3-ylethyl]piperidin-3-yl]imidazolidine-2,4-dione

(5S)-3,5-dimethyl-5-[(3S)-1-[(1R)-1-pyridin-3-ylethyl]piperidin-3-yl]imidazolidine-2,4-dione (PubChem CID 98791548) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is (5S)-3,5-dimethyl-5-[(3S)-1-[(1R)-1-pyridin-3-ylethyl]piperidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3,5-dimethyl-5-[(3S)-1-[(1R)-1-pyridin-3-ylethyl]piperidin-3-yl]imidazolidine-2,4-dione
PubChem CID98791548
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name(5S)-3,5-dimethyl-5-[(3S)-1-[(1R)-1-pyridin-3-ylethyl]piperidin-3-yl]imidazolidine-2,4-dione
SMILESC[C@H](c1cccnc1)N1CCC[C@H]([C@]2(C)NC(=O)N(C)C2=O)C1
InChIInChI=1S/C17H24N4O2/c1-12(13-6-4-8-18-10-13)21-9-5-7-14(11-21)17(2)15(22)20(3)16(23)19-17/h4,6,8,10,12,14H,5,7,9,11H2,1-3H3,(H,19,23)/t12-,14+,17+/m1/s1
InChIKeyYENIODIGEGUDNM-IFIJOSMWSA-N
XLogP1.79
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3,5-dimethyl-5-[(3S)-1-[(1R)-1-pyridin-3-ylethyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 97089215
(5S)-3,5-dimethyl-5-[(3R)-1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 129461912
(5S)-3,5-dimethyl-5-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 96513816
3-[(1S)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyridine
CID 129370378
(5R)-3,5-dimethyl-5-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 97090037
(5R)-3,5-dimethyl-5-[(3R)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 97090041
2-(1-pyridin-3-ylethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79673428
3-[(1R)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]pyridine
CID 95276591
(5S)-5-[(3R)-1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 129462010
1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
CID 4272805
3-[[(3S)-3-[(4R)-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]benzonitrile
CID 97090059
(5R)-5-[(3R)-1-(2-cyclopentylethyl)piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 97217642

Frequently Asked Questions

What is the IUPAC name of (5S)-3,5-dimethyl-5-[(3S)-1-[(1R)-1-pyridin-3-ylethyl]piperidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-3,5-dimethyl-5-[(3S)-1-[(1R)-1-pyridin-3-ylethyl]piperidin-3-yl]imidazolidine-2,4-dione (CID 98791548) is (5S)-3,5-dimethyl-5-[(3S)-1-[(1R)-1-pyridin-3-ylethyl]piperidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3,5-dimethyl-5-[(3S)-1-[(1R)-1-pyridin-3-ylethyl]piperidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3,5-dimethyl-5-[(3S)-1-[(1R)-1-pyridin-3-ylethyl]piperidin-3-yl]imidazolidine-2,4-dione is C[C@H](c1cccnc1)N1CCC[C@H]([C@]2(C)NC(=O)N(C)C2=O)C1.
What is the InChIKey of (5S)-3,5-dimethyl-5-[(3S)-1-[(1R)-1-pyridin-3-ylethyl]piperidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is YENIODIGEGUDNM-IFIJOSMWSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12(13-6-4-8-18-10-13)21-9-5-7-14(11-21)17(2)15(22)20(3)16(23)19-17/h4,6,8,10,12,14H,5,7,9,11H2,1-3H3,(H,19,23)/t12-,14+,17+/m1/s1.
What are the key properties of (5S)-3,5-dimethyl-5-[(3S)-1-[(1R)-1-pyridin-3-ylethyl]piperidin-3-yl]imidazolidine-2,4-dione?
(5S)-3,5-dimethyl-5-[(3S)-1-[(1R)-1-pyridin-3-ylethyl]piperidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 316.40 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,5-dimethyl-5-[(3S)-1-[(1R)-1-pyridin-3-ylethyl]piperidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 98791548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).