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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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).