N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(1-methylpiperidine-2-carbonyl)azetidin-3-yl]acetamide

C20H23F6N3O2 — CID 88868071

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(1-methylpiperidine-2-carbonyl)azetidin-3-yl]acetamide
SMILESCN1CCCCC1C(=O)N1CC(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H23F6N3O2/c1-28-5-3-2-4-16(28)18(31)29-10-12(11-29)6-17(30)27-15-8-13(19(21,22)23)7-14(9-15)20(24,25)26/h7-9,12,16H,2-6,10-11H2,1H3,(H,27,30)
InChIKeyVNXQJNIKJYFCHX-UHFFFAOYSA-N
MW451.41 g/mol
LogP4.00
Rot. Bonds4

About N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(1-methylpiperidine-2-carbonyl)azetidin-3-yl]acetamide

N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(1-methylpiperidine-2-carbonyl)azetidin-3-yl]acetamide (PubChem CID 88868071) has the molecular formula C20H23F6N3O2 and a molecular weight of 451.41 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(1-methylpiperidine-2-carbonyl)azetidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(1-methylpiperidine-2-carbonyl)azetidin-3-yl]acetamide
PubChem CID88868071
Molecular FormulaC20H23F6N3O2
Molecular Weight451.41 g/mol
Exact Mass451.17
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(1-methylpiperidine-2-carbonyl)azetidin-3-yl]acetamide
SMILESCN1CCCCC1C(=O)N1CC(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H23F6N3O2/c1-28-5-3-2-4-16(28)18(31)29-10-12(11-29)6-17(30)27-15-8-13(19(21,22)23)7-14(9-15)20(24,25)26/h7-9,12,16H,2-6,10-11H2,1H3,(H,27,30)
InChIKeyVNXQJNIKJYFCHX-UHFFFAOYSA-N
XLogP4.00
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(1-methylpiperidine-2-carbonyl)azetidin-3-yl]acetamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(1-methylpiperidine-2-carbonyl)azetidin-3-yl]acetamide (CID 88868071) is N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(1-methylpiperidine-2-carbonyl)azetidin-3-yl]acetamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(1-methylpiperidine-2-carbonyl)azetidin-3-yl]acetamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(1-methylpiperidine-2-carbonyl)azetidin-3-yl]acetamide is CN1CCCCC1C(=O)N1CC(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(1-methylpiperidine-2-carbonyl)azetidin-3-yl]acetamide?
The InChIKey is VNXQJNIKJYFCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F6N3O2/c1-28-5-3-2-4-16(28)18(31)29-10-12(11-29)6-17(30)27-15-8-13(19(21,22)23)7-14(9-15)20(24,25)26/h7-9,12,16H,2-6,10-11H2,1H3,(H,27,30).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(1-methylpiperidine-2-carbonyl)azetidin-3-yl]acetamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(1-methylpiperidine-2-carbonyl)azetidin-3-yl]acetamide has a molecular weight of 451.41 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(1-methylpiperidine-2-carbonyl)azetidin-3-yl]acetamide is sourced from PubChem (CID 88868071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).