5,5-dimethyl-3-[2-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C16H23N5O3 — CID 125007071

IUPAC5,5-dimethyl-3-[2-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCc1cn[nH]c1[C@@H]1CCCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1
InChIInChI=1S/C16H23N5O3/c1-10-7-17-19-13(10)11-5-4-6-20(8-11)12(22)9-21-14(23)16(2,3)18-15(21)24/h7,11H,4-6,8-9H2,1-3H3,(H,17,19)(H,18,24)/t11-/m1/s1
InChIKeyUKSIJMBQWOIKPA-LLVKDONJSA-N
MW333.39 g/mol
LogP0.75
Rot. Bonds3

About 5,5-dimethyl-3-[2-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[2-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 125007071) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID125007071
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name5,5-dimethyl-3-[2-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCc1cn[nH]c1[C@@H]1CCCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1
InChIInChI=1S/C16H23N5O3/c1-10-7-17-19-13(10)11-5-4-6-20(8-11)12(22)9-21-14(23)16(2,3)18-15(21)24/h7,11H,4-6,8-9H2,1-3H3,(H,17,19)(H,18,24)/t11-/m1/s1
InChIKeyUKSIJMBQWOIKPA-LLVKDONJSA-N
XLogP0.75
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.75
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

5,5-dimethyl-3-[2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 110106310
1-[2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 127247469
5,5-dimethyl-3-[2-[(3R)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 136916514
5,5-dimethyl-3-[2-oxo-2-(3-pyrazin-2-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 127246109
2-imidazol-1-yl-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 124983601
3-amino-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 171687293
5,5-dimethyl-3-[2-[3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 110217940
2-(4-chloropyrazol-1-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 125013996
5,5-dimethyl-3-[2-[(3S)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124955043
5,5-dimethyl-3-[2-oxo-2-(3-pyrazol-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 56823353
1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 95844950
5,5-dimethyl-3-[2-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 110103362

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 125007071) is 5,5-dimethyl-3-[2-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is Cc1cn[nH]c1[C@@H]1CCCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1.
What is the InChIKey of 5,5-dimethyl-3-[2-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is UKSIJMBQWOIKPA-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-10-7-17-19-13(10)11-5-4-6-20(8-11)12(22)9-21-14(23)16(2,3)18-15(21)24/h7,11H,4-6,8-9H2,1-3H3,(H,17,19)(H,18,24)/t11-/m1/s1.
What are the key properties of 5,5-dimethyl-3-[2-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 333.39 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 125007071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).