N-[1-(4-cyanophenyl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide

C18H21F2N3O2 — CID 84594978

IUPACN-[1-(4-cyanophenyl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide
SMILESN#Cc1ccc(N2CCC(NC(=O)C(F)(F)C3(O)CCC3)CC2)cc1
InChIInChI=1S/C18H21F2N3O2/c19-18(20,17(25)8-1-9-17)16(24)22-14-6-10-23(11-7-14)15-4-2-13(12-21)3-5-15/h2-5,14,25H,1,6-11H2,(H,22,24)
InChIKeyUAEVJBPMPMEEAF-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.19
Rot. Bonds4

About N-[1-(4-cyanophenyl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide

N-[1-(4-cyanophenyl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide (PubChem CID 84594978) has the molecular formula C18H21F2N3O2 and a molecular weight of 349.38 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide
PubChem CID84594978
Molecular FormulaC18H21F2N3O2
Molecular Weight349.38 g/mol
Exact Mass349.16
IUPAC NameN-[1-(4-cyanophenyl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide
SMILESN#Cc1ccc(N2CCC(NC(=O)C(F)(F)C3(O)CCC3)CC2)cc1
InChIInChI=1S/C18H21F2N3O2/c19-18(20,17(25)8-1-9-17)16(24)22-14-6-10-23(11-7-14)15-4-2-13(12-21)3-5-15/h2-5,14,25H,1,6-11H2,(H,22,24)
InChIKeyUAEVJBPMPMEEAF-UHFFFAOYSA-N
XLogP2.19
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 155957365
N-[1-(4-cyanophenyl)piperidin-4-yl]-4,4,4-trifluoro-3-phenylbutanamide
CID 86888022
2,2,2-trifluoroethyl 2-[[1-(4-cyanophenyl)piperidin-4-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 86885877
1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea
CID 86873399
methyl 4-[[1-(4-cyanophenyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylate
CID 19391665
1-[1-(4-cyanophenyl)piperidin-4-yl]-3-(3-hydroxybutyl)urea
CID 111337334
1-(4-cyanophenyl)-4-(methylamino)piperidine-4-carboxylic acid
CID 117011987
(3S,4R)-N-[1-(4-cyanophenyl)piperidin-4-yl]-4-phenylpyrrolidine-3-carboxamide
CID 156839415
N-[1-(4-cyanophenyl)piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 86868702
N-[1-(4-cyanophenyl)piperidin-4-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 86868736
2-[1-(4-cyanophenyl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide
CID 175649231
N-[(2R,4R)-1-[1-(4-cyanophenyl)cyclopropanecarbonyl]-2-methylpiperidin-4-yl]-2,2,2-trifluoroacetamide
CID 167843826

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide?
The IUPAC name of N-[1-(4-cyanophenyl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide (CID 84594978) is N-[1-(4-cyanophenyl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide?
The canonical SMILES for N-[1-(4-cyanophenyl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide is N#Cc1ccc(N2CCC(NC(=O)C(F)(F)C3(O)CCC3)CC2)cc1.
What is the InChIKey of N-[1-(4-cyanophenyl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide?
The InChIKey is UAEVJBPMPMEEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O2/c19-18(20,17(25)8-1-9-17)16(24)22-14-6-10-23(11-7-14)15-4-2-13(12-21)3-5-15/h2-5,14,25H,1,6-11H2,(H,22,24).
What are the key properties of N-[1-(4-cyanophenyl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide?
N-[1-(4-cyanophenyl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide has a molecular weight of 349.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide is sourced from PubChem (CID 84594978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).