1-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione

C17H22N4O3 — CID 99929974

IUPAC1-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESO=C1CN(CC(=O)N2CCCC[C@@H]2CCc2ccccn2)C(=O)N1
InChIInChI=1S/C17H22N4O3/c22-15-11-20(17(24)19-15)12-16(23)21-10-4-2-6-14(21)8-7-13-5-1-3-9-18-13/h1,3,5,9,14H,2,4,6-8,10-12H2,(H,19,22,24)/t14-/m1/s1
InChIKeyKLJBFIPKDFHPFQ-CQSZACIVSA-N
MW330.39 g/mol
LogP0.95
Rot. Bonds5

About 1-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione

1-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 99929974) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID99929974
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name1-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESO=C1CN(CC(=O)N2CCCC[C@@H]2CCc2ccccn2)C(=O)N1
InChIInChI=1S/C17H22N4O3/c22-15-11-20(17(24)19-15)12-16(23)21-10-4-2-6-14(21)8-7-13-5-1-3-9-18-13/h1,3,5,9,14H,2,4,6-8,10-12H2,(H,19,22,24)/t14-/m1/s1
InChIKeyKLJBFIPKDFHPFQ-CQSZACIVSA-N
XLogP0.95
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.95
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

2-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]-1H-pyridazine-3,6-dione
CID 95227998
2-(2-phenylimidazol-1-yl)-1-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone
CID 97121325
1-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 96580901
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone
CID 91841533
1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 81479420
1-[2-(hydroxymethyl)azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 116636366
3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propan-1-one
CID 45211722
3-(4-chloropyrazol-1-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propan-1-one
CID 118773858
1-morpholin-4-yl-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone
CID 124844881
(4-fluoro-3-hydroxyphenyl)-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 99932075
(5-propyl-1H-pyrazol-3-yl)-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 70762389
(5-propyl-1H-pyrazol-3-yl)-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 97141726

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione (CID 99929974) is 1-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione is O=C1CN(CC(=O)N2CCCC[C@@H]2CCc2ccccn2)C(=O)N1.
What is the InChIKey of 1-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is KLJBFIPKDFHPFQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O3/c22-15-11-20(17(24)19-15)12-16(23)21-10-4-2-6-14(21)8-7-13-5-1-3-9-18-13/h1,3,5,9,14H,2,4,6-8,10-12H2,(H,19,22,24)/t14-/m1/s1.
What are the key properties of 1-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
1-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 330.39 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 99929974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).