1-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea

C19H24FN5O3 — CID 136529124

IUPAC1-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea
SMILESCOCc1cc(CNC(=O)NC2CCCN(c3ccn(C)n3)C2=O)ccc1F
InChIInChI=1S/C19H24FN5O3/c1-24-9-7-17(23-24)25-8-3-4-16(18(25)26)22-19(27)21-11-13-5-6-15(20)14(10-13)12-28-2/h5-7,9-10,16H,3-4,8,11-12H2,1-2H3,(H2,21,22,27)
InChIKeyPZJMHLNTVJPNHQ-UHFFFAOYSA-N
MW389.43 g/mol
LogP1.70
Rot. Bonds6

About 1-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea

1-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea (PubChem CID 136529124) has the molecular formula C19H24FN5O3 and a molecular weight of 389.43 g/mol. Its IUPAC name is 1-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea.

Molecular Properties

Compound Name1-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea
PubChem CID136529124
Molecular FormulaC19H24FN5O3
Molecular Weight389.43 g/mol
Exact Mass389.19
IUPAC Name1-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea
SMILESCOCc1cc(CNC(=O)NC2CCCN(c3ccn(C)n3)C2=O)ccc1F
InChIInChI=1S/C19H24FN5O3/c1-24-9-7-17(23-24)25-8-3-4-16(18(25)26)22-19(27)21-11-13-5-6-15(20)14(10-13)12-28-2/h5-7,9-10,16H,3-4,8,11-12H2,1-2H3,(H2,21,22,27)
InChIKeyPZJMHLNTVJPNHQ-UHFFFAOYSA-N
XLogP1.70
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea with MolForge

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Related Compounds

1-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea
CID 102559857
1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea
CID 99698671
1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[[(3S)-thiolan-3-yl]methyl]urea
CID 124885479
1-(cyclopropylmethyl)-3-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]urea
CID 122134358
5-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]furan-2-carboxamide
CID 97059329
N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-(2-oxoazepan-1-yl)acetamide
CID 154861922
1-[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-3-[(1-methylpyrrol-3-yl)methyl]urea
CID 84591665
3-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119777508
2-hydroxy-4-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzamide
CID 122137425
1-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426880
1-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 99812558
(3S,4S)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120963469

Frequently Asked Questions

What is the IUPAC name of 1-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea?
The IUPAC name of 1-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea (CID 136529124) is 1-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea.
What is the SMILES notation for 1-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea?
The canonical SMILES for 1-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea is COCc1cc(CNC(=O)NC2CCCN(c3ccn(C)n3)C2=O)ccc1F.
What is the InChIKey of 1-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea?
The InChIKey is PZJMHLNTVJPNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O3/c1-24-9-7-17(23-24)25-8-3-4-16(18(25)26)22-19(27)21-11-13-5-6-15(20)14(10-13)12-28-2/h5-7,9-10,16H,3-4,8,11-12H2,1-2H3,(H2,21,22,27).
What are the key properties of 1-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea?
1-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea has a molecular weight of 389.43 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea is sourced from PubChem (CID 136529124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).