1-[2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)phenyl]-3-(5-methylpyrazin-2-yl)urea

C20H24F3N5O2 — CID 11625981

IUPAC1-[2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)phenyl]-3-(5-methylpyrazin-2-yl)urea
SMILESCc1cnc(NC(=O)Nc2cc(C(F)(F)F)ccc2OCC2CCCN(C)C2)cn1
InChIInChI=1S/C20H24F3N5O2/c1-13-9-25-18(10-24-13)27-19(29)26-16-8-15(20(21,22)23)5-6-17(16)30-12-14-4-3-7-28(2)11-14/h5-6,8-10,14H,3-4,7,11-12H2,1-2H3,(H2,25,26,27,29)
InChIKeyQAJYMZQFMATQET-UHFFFAOYSA-N
MW423.44 g/mol
LogP4.17
Rot. Bonds5

About 1-[2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)phenyl]-3-(5-methylpyrazin-2-yl)urea

1-[2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)phenyl]-3-(5-methylpyrazin-2-yl)urea (PubChem CID 11625981) has the molecular formula C20H24F3N5O2 and a molecular weight of 423.44 g/mol. Its IUPAC name is 1-[2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)phenyl]-3-(5-methylpyrazin-2-yl)urea.

Molecular Properties

Compound Name1-[2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)phenyl]-3-(5-methylpyrazin-2-yl)urea
PubChem CID11625981
Molecular FormulaC20H24F3N5O2
Molecular Weight423.44 g/mol
Exact Mass423.19
IUPAC Name1-[2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)phenyl]-3-(5-methylpyrazin-2-yl)urea
SMILESCc1cnc(NC(=O)Nc2cc(C(F)(F)F)ccc2OCC2CCCN(C)C2)cn1
InChIInChI=1S/C20H24F3N5O2/c1-13-9-25-18(10-24-13)27-19(29)26-16-8-15(20(21,22)23)5-6-17(16)30-12-14-4-3-7-28(2)11-14/h5-6,8-10,14H,3-4,7,11-12H2,1-2H3,(H2,25,26,27,29)
InChIKeyQAJYMZQFMATQET-UHFFFAOYSA-N
XLogP4.17
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-[5-(trifluoromethyl)pyrazin-2-yl]urea
CID 11654744
1-[5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;bis(1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea);1-[5-methyl-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 162035142
1-[5-methyl-2-[3-(1-methylpiperidin-3-yl)propoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 142167522
1-[5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 21034120
1-[5-methyl-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 11956016
1-[5-chloro-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 11956017
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 17439153
1-ethyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 54007816
(3R)-N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 111431517
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 47749828
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea
CID 60586531
N-[(3R)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzamide
CID 21034103

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)phenyl]-3-(5-methylpyrazin-2-yl)urea?
The IUPAC name of 1-[2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)phenyl]-3-(5-methylpyrazin-2-yl)urea (CID 11625981) is 1-[2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)phenyl]-3-(5-methylpyrazin-2-yl)urea.
What is the SMILES notation for 1-[2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)phenyl]-3-(5-methylpyrazin-2-yl)urea?
The canonical SMILES for 1-[2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)phenyl]-3-(5-methylpyrazin-2-yl)urea is Cc1cnc(NC(=O)Nc2cc(C(F)(F)F)ccc2OCC2CCCN(C)C2)cn1.
What is the InChIKey of 1-[2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)phenyl]-3-(5-methylpyrazin-2-yl)urea?
The InChIKey is QAJYMZQFMATQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O2/c1-13-9-25-18(10-24-13)27-19(29)26-16-8-15(20(21,22)23)5-6-17(16)30-12-14-4-3-7-28(2)11-14/h5-6,8-10,14H,3-4,7,11-12H2,1-2H3,(H2,25,26,27,29).
What are the key properties of 1-[2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)phenyl]-3-(5-methylpyrazin-2-yl)urea?
1-[2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)phenyl]-3-(5-methylpyrazin-2-yl)urea has a molecular weight of 423.44 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)phenyl]-3-(5-methylpyrazin-2-yl)urea is sourced from PubChem (CID 11625981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).