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

C16H22N4O2 — CID 96513816

IUPAC(5S)-3,5-dimethyl-5-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione
SMILESCN1C(=O)N[C@@](C)([C@H]2CCCN(Cc3cccnc3)C2)C1=O
InChIInChI=1S/C16H22N4O2/c1-16(14(21)19(2)15(22)18-16)13-6-4-8-20(11-13)10-12-5-3-7-17-9-12/h3,5,7,9,13H,4,6,8,10-11H2,1-2H3,(H,18,22)/t13-,16-/m0/s1
InChIKeyFRCRIAKELOGGGH-BBRMVZONSA-N
MW302.38 g/mol
LogP1.23
Rot. Bonds3

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

(5S)-3,5-dimethyl-5-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione (PubChem CID 96513816) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (5S)-3,5-dimethyl-5-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3,5-dimethyl-5-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione
PubChem CID96513816
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(5S)-3,5-dimethyl-5-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione
SMILESCN1C(=O)N[C@@](C)([C@H]2CCCN(Cc3cccnc3)C2)C1=O
InChIInChI=1S/C16H22N4O2/c1-16(14(21)19(2)15(22)18-16)13-6-4-8-20(11-13)10-12-5-3-7-17-9-12/h3,5,7,9,13H,4,6,8,10-11H2,1-2H3,(H,18,22)/t13-,16-/m0/s1
InChIKeyFRCRIAKELOGGGH-BBRMVZONSA-N
XLogP1.23
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-3,5-dimethyl-5-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione with MolForge

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Related Compounds

3-[[(3S)-3-[(4R)-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]benzonitrile
CID 97090059
(5S)-3,5-dimethyl-5-[(3S)-1-[(1R)-1-pyridin-3-ylethyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 98791548
(5R)-3,5-dimethyl-5-[(3S)-1-[(1R)-1-pyridin-3-ylethyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 97089215
(5R)-5-[(3R)-1-benzylpiperidin-3-yl]-5-methyl-3-propan-2-ylimidazolidine-2,4-dione
CID 97084068
(5S)-5-[(3R)-1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 129462010
(5S)-5-[(3R)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 97090048
5-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 71927210
(5R)-3,5-dimethyl-5-[(3S)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 97099056
(5R)-5-[(3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 96513827
(5R)-3,5-dimethyl-5-[(3S)-1-[2-(4-methylphenoxy)ethyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 97070496
5-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 71927218
3-ethyl-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 75422495

Frequently Asked Questions

What is the IUPAC name of (5S)-3,5-dimethyl-5-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-3,5-dimethyl-5-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione (CID 96513816) is (5S)-3,5-dimethyl-5-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3,5-dimethyl-5-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3,5-dimethyl-5-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione is CN1C(=O)N[C@@](C)([C@H]2CCCN(Cc3cccnc3)C2)C1=O.
What is the InChIKey of (5S)-3,5-dimethyl-5-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is FRCRIAKELOGGGH-BBRMVZONSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-16(14(21)19(2)15(22)18-16)13-6-4-8-20(11-13)10-12-5-3-7-17-9-12/h3,5,7,9,13H,4,6,8,10-11H2,1-2H3,(H,18,22)/t13-,16-/m0/s1.
What are the key properties of (5S)-3,5-dimethyl-5-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione?
(5S)-3,5-dimethyl-5-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 302.38 g/mol, XLogP of 1.23, 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-(pyridin-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 96513816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).