N-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenyl-N-propan-2-ylthiophene-2-carboxamide

C22H28N2O3S — CID 112835143

IUPACN-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenyl-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(C)C(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1
InChIInChI=1S/C22H28N2O3S/c1-16(2)23(3)22(26)21-18(14-19(28-21)17-10-6-4-7-11-17)27-15-20(25)24-12-8-5-9-13-24/h4,6-7,10-11,14,16H,5,8-9,12-13,15H2,1-3H3
InChIKeyCZWBTHNCKHDKHE-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.29
Rot. Bonds6

About N-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenyl-N-propan-2-ylthiophene-2-carboxamide

N-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenyl-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 112835143) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenyl-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenyl-N-propan-2-ylthiophene-2-carboxamide
PubChem CID112835143
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenyl-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(C)C(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1
InChIInChI=1S/C22H28N2O3S/c1-16(2)23(3)22(26)21-18(14-19(28-21)17-10-6-4-7-11-17)27-15-20(25)24-12-8-5-9-13-24/h4,6-7,10-11,14,16H,5,8-9,12-13,15H2,1-3H3
InChIKeyCZWBTHNCKHDKHE-UHFFFAOYSA-N
XLogP4.29
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide;hydrochloride
CID 119385018
N-[4-(furan-2-yl)butan-2-yl]-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide
CID 55792388
N-[1-(3-nitrophenyl)ethyl]-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide
CID 55878258
(2R)-2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-methylamino]propanoic acid
CID 100641368
2-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 53268573
2-[2-(1-hydroxyethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 43504036
4-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid
CID 45320509
2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-1-piperidin-1-ylethanone
CID 82002837
N-(1-aminopropan-2-yl)-3-ethoxy-N-methyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride
CID 119582017
N-benzyl-3-ethoxy-N-methyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 29260956
2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 60681856
1-(azepan-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone
CID 112978566

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenyl-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of N-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenyl-N-propan-2-ylthiophene-2-carboxamide (CID 112835143) is N-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenyl-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenyl-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenyl-N-propan-2-ylthiophene-2-carboxamide is CC(C)N(C)C(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1.
What is the InChIKey of N-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenyl-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is CZWBTHNCKHDKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-16(2)23(3)22(26)21-18(14-19(28-21)17-10-6-4-7-11-17)27-15-20(25)24-12-8-5-9-13-24/h4,6-7,10-11,14,16H,5,8-9,12-13,15H2,1-3H3.
What are the key properties of N-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenyl-N-propan-2-ylthiophene-2-carboxamide?
N-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenyl-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 400.54 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenyl-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 112835143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).