(5S)-5-ethyl-5-[1-(3-methylpyridine-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

C17H22N4O3 — CID 95211410

IUPAC(5S)-5-ethyl-5-[1-(3-methylpyridine-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCC[C@@]1(C2CCN(C(=O)c3ncccc3C)CC2)NC(=O)NC1=O
InChIInChI=1S/C17H22N4O3/c1-3-17(15(23)19-16(24)20-17)12-6-9-21(10-7-12)14(22)13-11(2)5-4-8-18-13/h4-5,8,12H,3,6-7,9-10H2,1-2H3,(H2,19,20,23,24)/t17-/m0/s1
InChIKeyYXPVDUDRQZVKMQ-KRWDZBQOSA-N
MW330.39 g/mol
LogP1.23
Rot. Bonds3

About (5S)-5-ethyl-5-[1-(3-methylpyridine-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

(5S)-5-ethyl-5-[1-(3-methylpyridine-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 95211410) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is (5S)-5-ethyl-5-[1-(3-methylpyridine-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-ethyl-5-[1-(3-methylpyridine-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID95211410
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name(5S)-5-ethyl-5-[1-(3-methylpyridine-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCC[C@@]1(C2CCN(C(=O)c3ncccc3C)CC2)NC(=O)NC1=O
InChIInChI=1S/C17H22N4O3/c1-3-17(15(23)19-16(24)20-17)12-6-9-21(10-7-12)14(22)13-11(2)5-4-8-18-13/h4-5,8,12H,3,6-7,9-10H2,1-2H3,(H2,19,20,23,24)/t17-/m0/s1
InChIKeyYXPVDUDRQZVKMQ-KRWDZBQOSA-N
XLogP1.23
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-5-[1-(2-methoxypyrimidine-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 56721489
(5R)-5-ethyl-5-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 95198121
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 66291772
(5R)-5-[1-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperidin-4-yl]-5-ethylimidazolidine-2,4-dione
CID 98260827
5-[1-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperidin-4-yl]-5-ethylimidazolidine-2,4-dione
CID 56740245
(3-aminopyrrolidin-1-yl)-(3-methyl-2-pyridinyl)methanone;dihydrochloride
CID 119482706
(5R)-5-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 95209324
3-methyl-1-(3-methylpyridine-2-carbonyl)piperidin-4-one
CID 114499935
5-ethyl-5-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 56718903
(3-hydroxyazetidin-1-yl)-(3-methyl-2-pyridinyl)methanone
CID 63106422
2-[4-(3-methylpyridine-2-carbonyl)piperazin-1-yl]butanenitrile
CID 63337428
1-[(4S,5S)-5-hydroxy-1-(3-methylpyridine-2-carbonyl)azepan-4-yl]pyrimidine-2,4-dione
CID 110126939

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-5-[1-(3-methylpyridine-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-ethyl-5-[1-(3-methylpyridine-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 95211410) is (5S)-5-ethyl-5-[1-(3-methylpyridine-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-ethyl-5-[1-(3-methylpyridine-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-ethyl-5-[1-(3-methylpyridine-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is CC[C@@]1(C2CCN(C(=O)c3ncccc3C)CC2)NC(=O)NC1=O.
What is the InChIKey of (5S)-5-ethyl-5-[1-(3-methylpyridine-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is YXPVDUDRQZVKMQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-3-17(15(23)19-16(24)20-17)12-6-9-21(10-7-12)14(22)13-11(2)5-4-8-18-13/h4-5,8,12H,3,6-7,9-10H2,1-2H3,(H2,19,20,23,24)/t17-/m0/s1.
What are the key properties of (5S)-5-ethyl-5-[1-(3-methylpyridine-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
(5S)-5-ethyl-5-[1-(3-methylpyridine-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 330.39 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-5-[1-(3-methylpyridine-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 95211410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).