1-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide

C23H30N2O3S — CID 78864219

IUPAC1-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N3CCC(C(=O)N(C)C(C)C)CC3)sc2C)cc1
InChIInChI=1S/C23H30N2O3S/c1-15(2)24(4)22(26)18-10-12-25(13-11-18)23(27)21-14-20(16(3)29-21)17-6-8-19(28-5)9-7-17/h6-9,14-15,18H,10-13H2,1-5H3
InChIKeyVACCGMJHTGQUAC-UHFFFAOYSA-N
MW414.57 g/mol
LogP4.45
Rot. Bonds5

About 1-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide

1-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 78864219) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID78864219
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC Name1-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N3CCC(C(=O)N(C)C(C)C)CC3)sc2C)cc1
InChIInChI=1S/C23H30N2O3S/c1-15(2)24(4)22(26)18-10-12-25(13-11-18)23(27)21-14-20(16(3)29-21)17-6-8-19(28-5)9-7-17/h6-9,14-15,18H,10-13H2,1-5H3
InChIKeyVACCGMJHTGQUAC-UHFFFAOYSA-N
XLogP4.45
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 78869007
[4-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]piperazin-1-yl]-phenylmethanone
CID 31188365
[2-(aminomethyl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone
CID 119466117
(2,6-dimethylmorpholin-4-yl)-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone
CID 78774228
[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38573949
1-[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]piperidine-4-carboxylic acid
CID 119349477
4-(4-methoxyphenyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 78773588
[1-(dimethylamino)-1-oxopropan-2-yl] 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate
CID 55392246
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone;hydrochloride
CID 120750309
1-(2-bromo-5-chlorobenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 78864334
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone
CID 78866460
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 78779390

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide (CID 78864219) is 1-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide is COc1ccc(-c2cc(C(=O)N3CCC(C(=O)N(C)C(C)C)CC3)sc2C)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is VACCGMJHTGQUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-15(2)24(4)22(26)18-10-12-25(13-11-18)23(27)21-14-20(16(3)29-21)17-6-8-19(28-5)9-7-17/h6-9,14-15,18H,10-13H2,1-5H3.
What are the key properties of 1-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
1-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 414.57 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 78864219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).