1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea

C17H25F3N4O2 — CID 119049071

IUPAC1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
SMILESCOc1cc(C(F)(F)F)ncc1NC(=O)NC1CCN(CC(C)C)CC1
InChIInChI=1S/C17H25F3N4O2/c1-11(2)10-24-6-4-12(5-7-24)22-16(25)23-13-9-21-15(17(18,19)20)8-14(13)26-3/h8-9,11-12H,4-7,10H2,1-3H3,(H2,22,23,25)
InChIKeyMRCDRXRHVBYUFI-UHFFFAOYSA-N
MW374.41 g/mol
LogP3.35
Rot. Bonds5

About 1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea

1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea (PubChem CID 119049071) has the molecular formula C17H25F3N4O2 and a molecular weight of 374.41 g/mol. Its IUPAC name is 1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
PubChem CID119049071
Molecular FormulaC17H25F3N4O2
Molecular Weight374.41 g/mol
Exact Mass374.19
IUPAC Name1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
SMILESCOc1cc(C(F)(F)F)ncc1NC(=O)NC1CCN(CC(C)C)CC1
InChIInChI=1S/C17H25F3N4O2/c1-11(2)10-24-6-4-12(5-7-24)22-16(25)23-13-9-21-15(17(18,19)20)8-14(13)26-3/h8-9,11-12H,4-7,10H2,1-3H3,(H2,22,23,25)
InChIKeyMRCDRXRHVBYUFI-UHFFFAOYSA-N
XLogP3.35
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea?
The IUPAC name of 1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea (CID 119049071) is 1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea is COc1cc(C(F)(F)F)ncc1NC(=O)NC1CCN(CC(C)C)CC1.
What is the InChIKey of 1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea?
The InChIKey is MRCDRXRHVBYUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4O2/c1-11(2)10-24-6-4-12(5-7-24)22-16(25)23-13-9-21-15(17(18,19)20)8-14(13)26-3/h8-9,11-12H,4-7,10H2,1-3H3,(H2,22,23,25).
What are the key properties of 1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea?
1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea has a molecular weight of 374.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea is sourced from PubChem (CID 119049071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).