4-(4-methoxyphenyl)-5-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide

C23H31N3O3S — CID 78868483

IUPAC4-(4-methoxyphenyl)-5-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESCCCNC(=O)CN1CCC(NC(=O)c2cc(-c3ccc(OC)cc3)c(C)s2)CC1
InChIInChI=1S/C23H31N3O3S/c1-4-11-24-22(27)15-26-12-9-18(10-13-26)25-23(28)21-14-20(16(2)30-21)17-5-7-19(29-3)8-6-17/h5-8,14,18H,4,9-13,15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyXHURMEOACBTBOD-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.45
Rot. Bonds8

About 4-(4-methoxyphenyl)-5-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide

4-(4-methoxyphenyl)-5-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 78868483) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide
PubChem CID78868483
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name4-(4-methoxyphenyl)-5-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESCCCNC(=O)CN1CCC(NC(=O)c2cc(-c3ccc(OC)cc3)c(C)s2)CC1
InChIInChI=1S/C23H31N3O3S/c1-4-11-24-22(27)15-26-12-9-18(10-13-26)25-23(28)21-14-20(16(2)30-21)17-5-7-19(29-3)8-6-17/h5-8,14,18H,4,9-13,15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyXHURMEOACBTBOD-UHFFFAOYSA-N
XLogP3.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminocyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide;hydrochloride
CID 119474300
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 78779390
N-(3-ethylsulfinylcyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 154805168
2-[4-[[N-ethyl-N'-[2-hydroxy-2-(4-methoxyphenyl)ethyl]carbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide
CID 111991151
5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-propylthiophene-2-carboxamide
CID 32527024
5-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 46433872
2-(3-chlorophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide
CID 55658570
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide
CID 55658378
3-fluoro-4-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39145303
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 16589774
N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 33102925
4-(4-tert-butylphenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide
CID 39146511

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-5-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide (CID 78868483) is 4-(4-methoxyphenyl)-5-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-5-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide is CCCNC(=O)CN1CCC(NC(=O)c2cc(-c3ccc(OC)cc3)c(C)s2)CC1.
What is the InChIKey of 4-(4-methoxyphenyl)-5-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is XHURMEOACBTBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-4-11-24-22(27)15-26-12-9-18(10-13-26)25-23(28)21-14-20(16(2)30-21)17-5-7-19(29-3)8-6-17/h5-8,14,18H,4,9-13,15H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 4-(4-methoxyphenyl)-5-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide?
4-(4-methoxyphenyl)-5-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 429.59 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 78868483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).