2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide

C16H29F2N3O2 — CID 97250401

IUPAC2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide
SMILESCC(C)[C@H](CNC(=O)C(F)(F)C1(O)CCC1)N1CCN(C)CC1
InChIInChI=1S/C16H29F2N3O2/c1-12(2)13(21-9-7-20(3)8-10-21)11-19-14(22)16(17,18)15(23)5-4-6-15/h12-13,23H,4-11H2,1-3H3,(H,19,22)/t13-/m0/s1
InChIKeyBYIBPAOGCUSHPZ-ZDUSSCGKSA-N
MW333.42 g/mol
LogP0.92
Rot. Bonds6

About 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide

2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide (PubChem CID 97250401) has the molecular formula C16H29F2N3O2 and a molecular weight of 333.42 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide
PubChem CID97250401
Molecular FormulaC16H29F2N3O2
Molecular Weight333.42 g/mol
Exact Mass333.22
IUPAC Name2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide
SMILESCC(C)[C@H](CNC(=O)C(F)(F)C1(O)CCC1)N1CCN(C)CC1
InChIInChI=1S/C16H29F2N3O2/c1-12(2)13(21-9-7-20(3)8-10-21)11-19-14(22)16(17,18)15(23)5-4-6-15/h12-13,23H,4-11H2,1-3H3,(H,19,22)/t13-/m0/s1
InChIKeyBYIBPAOGCUSHPZ-ZDUSSCGKSA-N
XLogP0.92
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide?
The IUPAC name of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide (CID 97250401) is 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide.
What is the SMILES notation for 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide?
The canonical SMILES for 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide is CC(C)[C@H](CNC(=O)C(F)(F)C1(O)CCC1)N1CCN(C)CC1.
What is the InChIKey of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide?
The InChIKey is BYIBPAOGCUSHPZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H29F2N3O2/c1-12(2)13(21-9-7-20(3)8-10-21)11-19-14(22)16(17,18)15(23)5-4-6-15/h12-13,23H,4-11H2,1-3H3,(H,19,22)/t13-/m0/s1.
What are the key properties of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide?
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide has a molecular weight of 333.42 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide is sourced from PubChem (CID 97250401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).