N-(2,2-difluoroethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide

C19H22F2N2OS — CID 134798152

IUPACN-(2,2-difluoroethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide
SMILESO=C(NCC(F)F)C1CCCCN1Cc1ccc(-c2cccs2)cc1
InChIInChI=1S/C19H22F2N2OS/c20-18(21)12-22-19(24)16-4-1-2-10-23(16)13-14-6-8-15(9-7-14)17-5-3-11-25-17/h3,5-9,11,16,18H,1-2,4,10,12-13H2,(H,22,24)
InChIKeyJLGIWKXMENZAHF-UHFFFAOYSA-N
MW364.46 g/mol
LogP4.15
Rot. Bonds6

About N-(2,2-difluoroethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide

N-(2,2-difluoroethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide (PubChem CID 134798152) has the molecular formula C19H22F2N2OS and a molecular weight of 364.46 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide
PubChem CID134798152
Molecular FormulaC19H22F2N2OS
Molecular Weight364.46 g/mol
Exact Mass364.14
IUPAC NameN-(2,2-difluoroethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide
SMILESO=C(NCC(F)F)C1CCCCN1Cc1ccc(-c2cccs2)cc1
InChIInChI=1S/C19H22F2N2OS/c20-18(21)12-22-19(24)16-4-1-2-10-23(16)13-14-6-8-15(9-7-14)17-5-3-11-25-17/h3,5-9,11,16,18H,1-2,4,10,12-13H2,(H,22,24)
InChIKeyJLGIWKXMENZAHF-UHFFFAOYSA-N
XLogP4.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(thiophen-3-yl)phenyl]ethyl]amino}pentanamide
CID 10150891
1-[4-(piperidin-1-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 15697378
Acetamide, N-(3-trifluoromethylbenzyl)-2-(2-thienyl)-
CID 566340
Proline scaffold, 28
CID 42618125
N-[1-(3,4-dimethylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 2971490
N-(2-{[2-(4-methylphenyl)ethyl]amino}-2-oxoethyl)thiophene-2-carboxamide
CID 5127938
N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide
CID 7809163
N-[1-(2,4-difluorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 16281807
N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 18107541
1,2,3,4-Tetrahydro-benzo[4,5]thieno[2,3-c]pyridine-3-carboxylic acid cyclohexylamide
CID 131108
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(piperidin-1-yl)ethylamino)-2-(thiophen-3-yl)acetamide
CID 10323427
N,N-Diethyl-4-(piperidin-4-ylidene-thiophen-2-yl-methyl)-benzamide
CID 10760626

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide (CID 134798152) is N-(2,2-difluoroethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide is O=C(NCC(F)F)C1CCCCN1Cc1ccc(-c2cccs2)cc1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide?
The InChIKey is JLGIWKXMENZAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2OS/c20-18(21)12-22-19(24)16-4-1-2-10-23(16)13-14-6-8-15(9-7-14)17-5-3-11-25-17/h3,5-9,11,16,18H,1-2,4,10,12-13H2,(H,22,24).
What are the key properties of N-(2,2-difluoroethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide?
N-(2,2-difluoroethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide has a molecular weight of 364.46 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 134798152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).