(4-methoxyphenyl)-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methanone

C19H21NO3S — CID 25473895

IUPAC(4-methoxyphenyl)-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3sccc3C)CC2)cc1
InChIInChI=1S/C19H21NO3S/c1-13-9-12-24-18(13)19(22)20-10-7-15(8-11-20)17(21)14-3-5-16(23-2)6-4-14/h3-6,9,12,15H,7-8,10-11H2,1-2H3
InChIKeyMMAWMBOIHBNBIR-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.80
Rot. Bonds4

About (4-methoxyphenyl)-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methanone

(4-methoxyphenyl)-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methanone (PubChem CID 25473895) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is (4-methoxyphenyl)-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methanone
PubChem CID25473895
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name(4-methoxyphenyl)-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3sccc3C)CC2)cc1
InChIInChI=1S/C19H21NO3S/c1-13-9-12-24-18(13)19(22)20-10-7-15(8-11-20)17(21)14-3-5-16(23-2)6-4-14/h3-6,9,12,15H,7-8,10-11H2,1-2H3
InChIKeyMMAWMBOIHBNBIR-UHFFFAOYSA-N
XLogP3.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25474112
1-(3-methylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 24704942
[1-(4-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone
CID 110394349
(4-methoxyphenyl)-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]methanone
CID 167817734
[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473760
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 119276704
[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 31594710
(4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638229
(4-methoxyphenyl)-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]methanone
CID 25475529
(4-fluorophenyl)-[1-[(3R,4R)-4-hydroxy-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone;oxalic acid
CID 70696608
1-(3-methylthiophene-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91954030

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methanone (CID 25473895) is (4-methoxyphenyl)-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methanone is COc1ccc(C(=O)C2CCN(C(=O)c3sccc3C)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methanone?
The InChIKey is MMAWMBOIHBNBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-13-9-12-24-18(13)19(22)20-10-7-15(8-11-20)17(21)14-3-5-16(23-2)6-4-14/h3-6,9,12,15H,7-8,10-11H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methanone?
(4-methoxyphenyl)-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methanone has a molecular weight of 343.45 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 25473895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).