N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C22H25N3O3S — CID 56572818

IUPACN-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCOc1ccc(N(CCC#N)C(=O)C2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C22H25N3O3S/c1-2-28-19-8-6-18(7-9-19)25(13-4-12-23)21(26)17-10-14-24(15-11-17)22(27)20-5-3-16-29-20/h3,5-9,16-17H,2,4,10-11,13-15H2,1H3
InChIKeySVMNYUIFEKZAKX-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.95
Rot. Bonds7

About N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 56572818) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID56572818
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC NameN-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCOc1ccc(N(CCC#N)C(=O)C2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C22H25N3O3S/c1-2-28-19-8-6-18(7-9-19)25(13-4-12-23)21(26)17-10-14-24(15-11-17)22(27)20-5-3-16-29-20/h3,5-9,16-17H,2,4,10-11,13-15H2,1H3
InChIKeySVMNYUIFEKZAKX-UHFFFAOYSA-N
XLogP3.95
TPSA73.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 55563339
N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 18119295
2-(4-ethoxyphenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108553957
N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46820076
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55406950
N-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 18169040
(4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25474112
(4-ethoxyphenyl)methyl-methyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium
CID 8554666
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
(4-chlorophenyl) 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 27844069
N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55560167
N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9479280

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 56572818) is N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is CCOc1ccc(N(CCC#N)C(=O)C2CCN(C(=O)c3cccs3)CC2)cc1.
What is the InChIKey of N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is SVMNYUIFEKZAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-2-28-19-8-6-18(7-9-19)25(13-4-12-23)21(26)17-10-14-24(15-11-17)22(27)20-5-3-16-29-20/h3,5-9,16-17H,2,4,10-11,13-15H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 411.53 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 56572818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).