1-[(3S,4R)-4-methyl-2-oxopiperidin-3-yl]-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea

C18H23N5O2 — CID 99840232

IUPAC1-[(3S,4R)-4-methyl-2-oxopiperidin-3-yl]-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea
SMILESCc1nn(-c2ccccc2)cc1CNC(=O)N[C@@H]1C(=O)NCC[C@H]1C
InChIInChI=1S/C18H23N5O2/c1-12-8-9-19-17(24)16(12)21-18(25)20-10-14-11-23(22-13(14)2)15-6-4-3-5-7-15/h3-7,11-12,16H,8-10H2,1-2H3,(H,19,24)(H2,20,21,25)/t12-,16+/m1/s1
InChIKeyUKILJNQXXDTZCT-WBMJQRKESA-N
MW341.42 g/mol
LogP1.50
Rot. Bonds4

About 1-[(3S,4R)-4-methyl-2-oxopiperidin-3-yl]-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea

1-[(3S,4R)-4-methyl-2-oxopiperidin-3-yl]-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea (PubChem CID 99840232) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[(3S,4R)-4-methyl-2-oxopiperidin-3-yl]-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(3S,4R)-4-methyl-2-oxopiperidin-3-yl]-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea
PubChem CID99840232
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-[(3S,4R)-4-methyl-2-oxopiperidin-3-yl]-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea
SMILESCc1nn(-c2ccccc2)cc1CNC(=O)N[C@@H]1C(=O)NCC[C@H]1C
InChIInChI=1S/C18H23N5O2/c1-12-8-9-19-17(24)16(12)21-18(25)20-10-14-11-23(22-13(14)2)15-6-4-3-5-7-15/h3-7,11-12,16H,8-10H2,1-2H3,(H,19,24)(H2,20,21,25)/t12-,16+/m1/s1
InChIKeyUKILJNQXXDTZCT-WBMJQRKESA-N
XLogP1.50
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(3S,4R)-4-methyl-2-oxopiperidin-3-yl]-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea with MolForge

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Related Compounds

5-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-2,4-imidazolidinedione
CID 660311
(5r)-5-[3-(4-Fluorophenyl)-1-Phenyl-1h-Pyrazol-4-Yl]imidazolidine-2,4-Dione
CID 948334
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]-2,2-dimethylpropanamide
CID 101874839
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 118723776
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]-2-methyl-propanamide
CID 118723777
2-(tert-butylcarbamoylamino)-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide
CID 118723778
N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide
CID 6468083
N-(4-fluorophenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24819297
N-[2-(1-phenyl-1H-pyrazol-3-yl)ethyl]cyclohexanecarboxamide
CID 47092747
N-cyano-N'-(2-methylphenyl)-4-[2-(3-methylpyrazol-1-yl)acetyl]-3-phenylpiperazine-1-carboximidamide
CID 44455378
N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522
N-[1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 118514528

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-4-methyl-2-oxopiperidin-3-yl]-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-[(3S,4R)-4-methyl-2-oxopiperidin-3-yl]-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea (CID 99840232) is 1-[(3S,4R)-4-methyl-2-oxopiperidin-3-yl]-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[(3S,4R)-4-methyl-2-oxopiperidin-3-yl]-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-[(3S,4R)-4-methyl-2-oxopiperidin-3-yl]-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea is Cc1nn(-c2ccccc2)cc1CNC(=O)N[C@@H]1C(=O)NCC[C@H]1C.
What is the InChIKey of 1-[(3S,4R)-4-methyl-2-oxopiperidin-3-yl]-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea?
The InChIKey is UKILJNQXXDTZCT-WBMJQRKESA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12-8-9-19-17(24)16(12)21-18(25)20-10-14-11-23(22-13(14)2)15-6-4-3-5-7-15/h3-7,11-12,16H,8-10H2,1-2H3,(H,19,24)(H2,20,21,25)/t12-,16+/m1/s1.
What are the key properties of 1-[(3S,4R)-4-methyl-2-oxopiperidin-3-yl]-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea?
1-[(3S,4R)-4-methyl-2-oxopiperidin-3-yl]-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea has a molecular weight of 341.42 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-4-methyl-2-oxopiperidin-3-yl]-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 99840232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).