1-[(3R)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]-3-(pyridin-4-ylmethyl)urea

C18H19FN4O2 — CID 95629087

IUPAC1-[(3R)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]-3-(pyridin-4-ylmethyl)urea
SMILESO=C(NCc1ccncc1)N[C@@H]1CCCN(c2cccc(F)c2)C1=O
InChIInChI=1S/C18H19FN4O2/c19-14-3-1-4-15(11-14)23-10-2-5-16(17(23)24)22-18(25)21-12-13-6-8-20-9-7-13/h1,3-4,6-9,11,16H,2,5,10,12H2,(H2,21,22,25)/t16-/m1/s1
InChIKeyDYHABPDSGASJRW-MRXNPFEDSA-N
MW342.37 g/mol
LogP2.22
Rot. Bonds4

About 1-[(3R)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]-3-(pyridin-4-ylmethyl)urea

1-[(3R)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]-3-(pyridin-4-ylmethyl)urea (PubChem CID 95629087) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-[(3R)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[(3R)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]-3-(pyridin-4-ylmethyl)urea
PubChem CID95629087
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name1-[(3R)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]-3-(pyridin-4-ylmethyl)urea
SMILESO=C(NCc1ccncc1)N[C@@H]1CCCN(c2cccc(F)c2)C1=O
InChIInChI=1S/C18H19FN4O2/c19-14-3-1-4-15(11-14)23-10-2-5-16(17(23)24)22-18(25)21-12-13-6-8-20-9-7-13/h1,3-4,6-9,11,16H,2,5,10,12H2,(H2,21,22,25)/t16-/m1/s1
InChIKeyDYHABPDSGASJRW-MRXNPFEDSA-N
XLogP2.22
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 95347777
1-[(3S)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]-3-[(2S)-1-methoxypropan-2-yl]urea
CID 95353670
1-benzyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547224
1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea
CID 16819859
3-[(2-oxo-1-phenylpiperidin-3-yl)carbamoylamino]propanoic acid
CID 122002288
1-[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-3-[(1-methylpyrrol-3-yl)methyl]urea
CID 84591665
1-(3-fluorophenyl)-3-[[(1S)-1-phenylethyl]amino]piperidin-2-one
CID 138042379
1-[(3S)-1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-3-[(3-methoxyphenyl)methyl]urea
CID 95101423
N-[(5S,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide
CID 67108857
1-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3-phenylurea
CID 166208852
1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea
CID 71876955
1-[(3-fluorophenyl)methyl]-3-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]urea
CID 156586147

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-[(3R)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]-3-(pyridin-4-ylmethyl)urea (CID 95629087) is 1-[(3R)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-[(3R)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-[(3R)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]-3-(pyridin-4-ylmethyl)urea is O=C(NCc1ccncc1)N[C@@H]1CCCN(c2cccc(F)c2)C1=O.
What is the InChIKey of 1-[(3R)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]-3-(pyridin-4-ylmethyl)urea?
The InChIKey is DYHABPDSGASJRW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19FN4O2/c19-14-3-1-4-15(11-14)23-10-2-5-16(17(23)24)22-18(25)21-12-13-6-8-20-9-7-13/h1,3-4,6-9,11,16H,2,5,10,12H2,(H2,21,22,25)/t16-/m1/s1.
What are the key properties of 1-[(3R)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]-3-(pyridin-4-ylmethyl)urea?
1-[(3R)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]-3-(pyridin-4-ylmethyl)urea has a molecular weight of 342.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 95629087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).