1-cyclobutyl-3-[(1-methylpiperidin-3-yl)methyl]-1-(3,3,3-trifluoropropyl)urea

C15H26F3N3O — CID 71973952

IUPAC1-cyclobutyl-3-[(1-methylpiperidin-3-yl)methyl]-1-(3,3,3-trifluoropropyl)urea
SMILESCN1CCCC(CNC(=O)N(CCC(F)(F)F)C2CCC2)C1
InChIInChI=1S/C15H26F3N3O/c1-20-8-3-4-12(11-20)10-19-14(22)21(13-5-2-6-13)9-7-15(16,17)18/h12-13H,2-11H2,1H3,(H,19,22)
InChIKeyICZGJNDRAULDKQ-UHFFFAOYSA-N
MW321.39 g/mol
LogP2.84
Rot. Bonds5

About 1-cyclobutyl-3-[(1-methylpiperidin-3-yl)methyl]-1-(3,3,3-trifluoropropyl)urea

1-cyclobutyl-3-[(1-methylpiperidin-3-yl)methyl]-1-(3,3,3-trifluoropropyl)urea (PubChem CID 71973952) has the molecular formula C15H26F3N3O and a molecular weight of 321.39 g/mol. Its IUPAC name is 1-cyclobutyl-3-[(1-methylpiperidin-3-yl)methyl]-1-(3,3,3-trifluoropropyl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-[(1-methylpiperidin-3-yl)methyl]-1-(3,3,3-trifluoropropyl)urea
PubChem CID71973952
Molecular FormulaC15H26F3N3O
Molecular Weight321.39 g/mol
Exact Mass321.20
IUPAC Name1-cyclobutyl-3-[(1-methylpiperidin-3-yl)methyl]-1-(3,3,3-trifluoropropyl)urea
SMILESCN1CCCC(CNC(=O)N(CCC(F)(F)F)C2CCC2)C1
InChIInChI=1S/C15H26F3N3O/c1-20-8-3-4-12(11-20)10-19-14(22)21(13-5-2-6-13)9-7-15(16,17)18/h12-13H,2-11H2,1H3,(H,19,22)
InChIKeyICZGJNDRAULDKQ-UHFFFAOYSA-N
XLogP2.84
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine-1-carboxamide
CID 935326
N-(2,2-difluoroethyl)-3-methylpiperidine-1-carboxamide
CID 84595795
3,3-Dimethyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 112690170
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(2-methylcyclopentyl)urea
CID 56826843
1-Cyclobutyl-3-(cyclobutylmethyl)-1-(3,3,3-trifluoropropyl)urea
CID 71858906
N,2-dimethyl-3-(trifluoromethyl)piperidine-1-carboxamide
CID 132297135
1-[1-(1-Cyclobutylpiperidin-3-yl)ethyl]-3-(2,2-difluoroethyl)urea
CID 86786392
7,8-Dimethyl-4-(2,2,2-trifluoroethyl)-2,4-diazabicyclo[4.2.0]octan-3-one
CID 67968737
4-(2,2-Difluoropropyl)-7,8-dimethyl-2,4-diazabicyclo[4.2.0]octan-3-one
CID 67968738
4,5-Dimethyl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
CID 67976487
5-Methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
CID 67976490
4-ethyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 68260776

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[(1-methylpiperidin-3-yl)methyl]-1-(3,3,3-trifluoropropyl)urea?
The IUPAC name of 1-cyclobutyl-3-[(1-methylpiperidin-3-yl)methyl]-1-(3,3,3-trifluoropropyl)urea (CID 71973952) is 1-cyclobutyl-3-[(1-methylpiperidin-3-yl)methyl]-1-(3,3,3-trifluoropropyl)urea.
What is the SMILES notation for 1-cyclobutyl-3-[(1-methylpiperidin-3-yl)methyl]-1-(3,3,3-trifluoropropyl)urea?
The canonical SMILES for 1-cyclobutyl-3-[(1-methylpiperidin-3-yl)methyl]-1-(3,3,3-trifluoropropyl)urea is CN1CCCC(CNC(=O)N(CCC(F)(F)F)C2CCC2)C1.
What is the InChIKey of 1-cyclobutyl-3-[(1-methylpiperidin-3-yl)methyl]-1-(3,3,3-trifluoropropyl)urea?
The InChIKey is ICZGJNDRAULDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3O/c1-20-8-3-4-12(11-20)10-19-14(22)21(13-5-2-6-13)9-7-15(16,17)18/h12-13H,2-11H2,1H3,(H,19,22).
What are the key properties of 1-cyclobutyl-3-[(1-methylpiperidin-3-yl)methyl]-1-(3,3,3-trifluoropropyl)urea?
1-cyclobutyl-3-[(1-methylpiperidin-3-yl)methyl]-1-(3,3,3-trifluoropropyl)urea has a molecular weight of 321.39 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[(1-methylpiperidin-3-yl)methyl]-1-(3,3,3-trifluoropropyl)urea is sourced from PubChem (CID 71973952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).