N-[(2R,4R)-1-[1-(4-cyanophenyl)cyclopropanecarbonyl]-2-methylpiperidin-4-yl]-2,2,2-trifluoroacetamide

C19H20F3N3O2 — CID 167843826

IUPACN-[(2R,4R)-1-[1-(4-cyanophenyl)cyclopropanecarbonyl]-2-methylpiperidin-4-yl]-2,2,2-trifluoroacetamide
SMILESC[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)C1(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C19H20F3N3O2/c1-12-10-15(24-16(26)19(20,21)22)6-9-25(12)17(27)18(7-8-18)14-4-2-13(11-23)3-5-14/h2-5,12,15H,6-10H2,1H3,(H,24,26)/t12-,15-/m1/s1
InChIKeyJCBZDZZUOAISHV-IUODEOHRSA-N
MW379.38 g/mol
LogP2.65
Rot. Bonds3

About N-[(2R,4R)-1-[1-(4-cyanophenyl)cyclopropanecarbonyl]-2-methylpiperidin-4-yl]-2,2,2-trifluoroacetamide

N-[(2R,4R)-1-[1-(4-cyanophenyl)cyclopropanecarbonyl]-2-methylpiperidin-4-yl]-2,2,2-trifluoroacetamide (PubChem CID 167843826) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-[(2R,4R)-1-[1-(4-cyanophenyl)cyclopropanecarbonyl]-2-methylpiperidin-4-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(2R,4R)-1-[1-(4-cyanophenyl)cyclopropanecarbonyl]-2-methylpiperidin-4-yl]-2,2,2-trifluoroacetamide
PubChem CID167843826
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC NameN-[(2R,4R)-1-[1-(4-cyanophenyl)cyclopropanecarbonyl]-2-methylpiperidin-4-yl]-2,2,2-trifluoroacetamide
SMILESC[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)C1(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C19H20F3N3O2/c1-12-10-15(24-16(26)19(20,21)22)6-9-25(12)17(27)18(7-8-18)14-4-2-13(11-23)3-5-14/h2-5,12,15H,6-10H2,1H3,(H,24,26)/t12-,15-/m1/s1
InChIKeyJCBZDZZUOAISHV-IUODEOHRSA-N
XLogP2.65
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]acetamide
CID 154854677
N-[1-(4-cyanophenyl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide
CID 84594978
N-[(5S,7R)-17-cyano-14-methyl-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]-2,2,2-trifluoroacetamide
CID 87086478
N-(17-cyano-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl)-2,2,2-trifluoroacetamide
CID 87230517
N-(17-cyano-9-methyl-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl)-2,2,2-trifluoroacetamide
CID 87231641
4-[(2R,4S)-4-amino-2-methylpiperidine-1-carbonyl]benzonitrile
CID 124573728
[1-(4-methoxyphenyl)cyclopropyl]-(2-methylpiperidin-1-yl)methanone
CID 110485731
4-cyano-N-[1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]benzamide
CID 138617831
N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide
CID 17463259
tert-butyl (2S,4R)-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carboxylate
CID 135355640
N-(1-benzyl-5-methylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide
CID 130914121
2-(4-cyanophenyl)-N-(2-methyloxan-4-yl)acetamide
CID 103888163

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R)-1-[1-(4-cyanophenyl)cyclopropanecarbonyl]-2-methylpiperidin-4-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(2R,4R)-1-[1-(4-cyanophenyl)cyclopropanecarbonyl]-2-methylpiperidin-4-yl]-2,2,2-trifluoroacetamide (CID 167843826) is N-[(2R,4R)-1-[1-(4-cyanophenyl)cyclopropanecarbonyl]-2-methylpiperidin-4-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(2R,4R)-1-[1-(4-cyanophenyl)cyclopropanecarbonyl]-2-methylpiperidin-4-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(2R,4R)-1-[1-(4-cyanophenyl)cyclopropanecarbonyl]-2-methylpiperidin-4-yl]-2,2,2-trifluoroacetamide is C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)C1(c2ccc(C#N)cc2)CC1.
What is the InChIKey of N-[(2R,4R)-1-[1-(4-cyanophenyl)cyclopropanecarbonyl]-2-methylpiperidin-4-yl]-2,2,2-trifluoroacetamide?
The InChIKey is JCBZDZZUOAISHV-IUODEOHRSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-12-10-15(24-16(26)19(20,21)22)6-9-25(12)17(27)18(7-8-18)14-4-2-13(11-23)3-5-14/h2-5,12,15H,6-10H2,1H3,(H,24,26)/t12-,15-/m1/s1.
What are the key properties of N-[(2R,4R)-1-[1-(4-cyanophenyl)cyclopropanecarbonyl]-2-methylpiperidin-4-yl]-2,2,2-trifluoroacetamide?
N-[(2R,4R)-1-[1-(4-cyanophenyl)cyclopropanecarbonyl]-2-methylpiperidin-4-yl]-2,2,2-trifluoroacetamide has a molecular weight of 379.38 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R)-1-[1-(4-cyanophenyl)cyclopropanecarbonyl]-2-methylpiperidin-4-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 167843826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).