[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone

C20H26F3N3O — CID 118290847

IUPAC[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(N1CCC(C(F)(F)F)CC1)N1CC(CNC2CC2c2ccccc2)C1
InChIInChI=1S/C20H26F3N3O/c21-20(22,23)16-6-8-25(9-7-16)19(27)26-12-14(13-26)11-24-18-10-17(18)15-4-2-1-3-5-15/h1-5,14,16-18,24H,6-13H2
InChIKeyFHHGKYSBSTWQBX-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.46
Rot. Bonds4

About [3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone

[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 118290847) has the molecular formula C20H26F3N3O and a molecular weight of 381.44 g/mol. Its IUPAC name is [3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID118290847
Molecular FormulaC20H26F3N3O
Molecular Weight381.44 g/mol
Exact Mass381.20
IUPAC Name[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(N1CCC(C(F)(F)F)CC1)N1CC(CNC2CC2c2ccccc2)C1
InChIInChI=1S/C20H26F3N3O/c21-20(22,23)16-6-8-25(9-7-16)19(27)26-12-14(13-26)11-24-18-10-17(18)15-4-2-1-3-5-15/h1-5,14,16-18,24H,6-13H2
InChIKeyFHHGKYSBSTWQBX-UHFFFAOYSA-N
XLogP3.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of [3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone (CID 118290847) is [3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone is O=C(N1CCC(C(F)(F)F)CC1)N1CC(CNC2CC2c2ccccc2)C1.
What is the InChIKey of [3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is FHHGKYSBSTWQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O/c21-20(22,23)16-6-8-25(9-7-16)19(27)26-12-14(13-26)11-24-18-10-17(18)15-4-2-1-3-5-15/h1-5,14,16-18,24H,6-13H2.
What are the key properties of [3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?
[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 381.44 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 118290847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).