1-(4-fluoro-3-methylphenyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea

C19H29FN4O — CID 99581606

IUPAC1-(4-fluoro-3-methylphenyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
SMILESCc1cc(NC(=O)NC2CCN(C3CCN(C)CC3)CC2)ccc1F
InChIInChI=1S/C19H29FN4O/c1-14-13-16(3-4-18(14)20)22-19(25)21-15-5-11-24(12-6-15)17-7-9-23(2)10-8-17/h3-4,13,15,17H,5-12H2,1-2H3,(H2,21,22,25)
InChIKeyWSLNTPJJZHPBGS-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.81
Rot. Bonds3

About 1-(4-fluoro-3-methylphenyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea

1-(4-fluoro-3-methylphenyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea (PubChem CID 99581606) has the molecular formula C19H29FN4O and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
PubChem CID99581606
Molecular FormulaC19H29FN4O
Molecular Weight348.47 g/mol
Exact Mass348.23
IUPAC Name1-(4-fluoro-3-methylphenyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
SMILESCc1cc(NC(=O)NC2CCN(C3CCN(C)CC3)CC2)ccc1F
InChIInChI=1S/C19H29FN4O/c1-14-13-16(3-4-18(14)20)22-19(25)21-15-5-11-24(12-6-15)17-7-9-23(2)10-8-17/h3-4,13,15,17H,5-12H2,1-2H3,(H2,21,22,25)
InChIKeyWSLNTPJJZHPBGS-UHFFFAOYSA-N
XLogP2.81
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea (CID 99581606) is 1-(4-fluoro-3-methylphenyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea is Cc1cc(NC(=O)NC2CCN(C3CCN(C)CC3)CC2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea?
The InChIKey is WSLNTPJJZHPBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN4O/c1-14-13-16(3-4-18(14)20)22-19(25)21-15-5-11-24(12-6-15)17-7-9-23(2)10-8-17/h3-4,13,15,17H,5-12H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-(4-fluoro-3-methylphenyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea?
1-(4-fluoro-3-methylphenyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea has a molecular weight of 348.47 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea is sourced from PubChem (CID 99581606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).