1-(1-tert-butylpyrrolidin-3-yl)-3-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]urea

C19H33F3N4O — CID 167924618

IUPAC1-(1-tert-butylpyrrolidin-3-yl)-3-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]urea
SMILESCC(C)(C)N1CCC(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1
InChIInChI=1S/C19H33F3N4O/c1-18(2,3)26-9-6-14(12-26)23-17(27)24-15-10-16(11-15)25-7-4-13(5-8-25)19(20,21)22/h13-16H,4-12H2,1-3H3,(H2,23,24,27)
InChIKeyIJTIUSFUJZCKGU-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.96
Rot. Bonds3

About 1-(1-tert-butylpyrrolidin-3-yl)-3-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]urea

1-(1-tert-butylpyrrolidin-3-yl)-3-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]urea (PubChem CID 167924618) has the molecular formula C19H33F3N4O and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-(1-tert-butylpyrrolidin-3-yl)-3-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]urea.

Molecular Properties

Compound Name1-(1-tert-butylpyrrolidin-3-yl)-3-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]urea
PubChem CID167924618
Molecular FormulaC19H33F3N4O
Molecular Weight390.49 g/mol
Exact Mass390.26
IUPAC Name1-(1-tert-butylpyrrolidin-3-yl)-3-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]urea
SMILESCC(C)(C)N1CCC(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1
InChIInChI=1S/C19H33F3N4O/c1-18(2,3)26-9-6-14(12-26)23-17(27)24-15-10-16(11-15)25-7-4-13(5-8-25)19(20,21)22/h13-16H,4-12H2,1-3H3,(H2,23,24,27)
InChIKeyIJTIUSFUJZCKGU-UHFFFAOYSA-N
XLogP2.96
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpyrrolidin-3-yl)-3-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]urea?
The IUPAC name of 1-(1-tert-butylpyrrolidin-3-yl)-3-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]urea (CID 167924618) is 1-(1-tert-butylpyrrolidin-3-yl)-3-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]urea.
What is the SMILES notation for 1-(1-tert-butylpyrrolidin-3-yl)-3-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]urea?
The canonical SMILES for 1-(1-tert-butylpyrrolidin-3-yl)-3-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]urea is CC(C)(C)N1CCC(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1.
What is the InChIKey of 1-(1-tert-butylpyrrolidin-3-yl)-3-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]urea?
The InChIKey is IJTIUSFUJZCKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33F3N4O/c1-18(2,3)26-9-6-14(12-26)23-17(27)24-15-10-16(11-15)25-7-4-13(5-8-25)19(20,21)22/h13-16H,4-12H2,1-3H3,(H2,23,24,27).
What are the key properties of 1-(1-tert-butylpyrrolidin-3-yl)-3-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]urea?
1-(1-tert-butylpyrrolidin-3-yl)-3-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]urea has a molecular weight of 390.49 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylpyrrolidin-3-yl)-3-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]urea is sourced from PubChem (CID 167924618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).