(5R)-5-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione

C19H29N5O3 — CID 95209324

IUPAC(5R)-5-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCCc1c(C)nn(CC(=O)N2CCC([C@@]3(CC)NC(=O)NC3=O)CC2)c1C
InChIInChI=1S/C19H29N5O3/c1-5-15-12(3)22-24(13(15)4)11-16(25)23-9-7-14(8-10-23)19(6-2)17(26)20-18(27)21-19/h14H,5-11H2,1-4H3,(H2,20,21,26,27)/t19-/m1/s1
InChIKeyFMESHGLKHJRCSK-LJQANCHMSA-N
MW375.47 g/mol
LogP1.29
Rot. Bonds5

About (5R)-5-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione

(5R)-5-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 95209324) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is (5R)-5-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID95209324
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name(5R)-5-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCCc1c(C)nn(CC(=O)N2CCC([C@@]3(CC)NC(=O)NC3=O)CC2)c1C
InChIInChI=1S/C19H29N5O3/c1-5-15-12(3)22-24(13(15)4)11-16(25)23-9-7-14(8-10-23)19(6-2)17(26)20-18(27)21-19/h14H,5-11H2,1-4H3,(H2,20,21,26,27)/t19-/m1/s1
InChIKeyFMESHGLKHJRCSK-LJQANCHMSA-N
XLogP1.29
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-ethyl-5-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 95198121
N-[2-[4-[(4R)-4-ethyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 95209374
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 91784473
1-(1,4-diazepan-1-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone
CID 54982396
(5S)-5-ethyl-5-[1-(3-methylpyridine-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 95211410
8-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 56796265
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
(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-ethyl-5-[1-(2-methoxypyrimidine-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 56721489
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]ethanone
CID 97110252
(5R)-5-cyclohexyl-5-ethylimidazolidine-2,4-dione
CID 92532345
2-[5-[(3S)-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126434624

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 95209324) is (5R)-5-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione is CCc1c(C)nn(CC(=O)N2CCC([C@@]3(CC)NC(=O)NC3=O)CC2)c1C.
What is the InChIKey of (5R)-5-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is FMESHGLKHJRCSK-LJQANCHMSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-5-15-12(3)22-24(13(15)4)11-16(25)23-9-7-14(8-10-23)19(6-2)17(26)20-18(27)21-19/h14H,5-11H2,1-4H3,(H2,20,21,26,27)/t19-/m1/s1.
What are the key properties of (5R)-5-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione?
(5R)-5-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 375.47 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 95209324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).