(4-benzylpiperidin-1-yl)-(3-methoxy-5-methylthiophen-2-yl)methanone

C19H23NO2S — CID 68628444

IUPAC(4-benzylpiperidin-1-yl)-(3-methoxy-5-methylthiophen-2-yl)methanone
SMILESCOc1cc(C)sc1C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H23NO2S/c1-14-12-17(22-2)18(23-14)19(21)20-10-8-16(9-11-20)13-15-6-4-3-5-7-15/h3-7,12,16H,8-11,13H2,1-2H3
InChIKeySQIYKFIWPADKFP-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.16
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-(3-methoxy-5-methylthiophen-2-yl)methanone

(4-benzylpiperidin-1-yl)-(3-methoxy-5-methylthiophen-2-yl)methanone (PubChem CID 68628444) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(3-methoxy-5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(3-methoxy-5-methylthiophen-2-yl)methanone
PubChem CID68628444
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name(4-benzylpiperidin-1-yl)-(3-methoxy-5-methylthiophen-2-yl)methanone
SMILESCOc1cc(C)sc1C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H23NO2S/c1-14-12-17(22-2)18(23-14)19(21)20-10-8-16(9-11-20)13-15-6-4-3-5-7-15/h3-7,12,16H,8-11,13H2,1-2H3
InChIKeySQIYKFIWPADKFP-UHFFFAOYSA-N
XLogP4.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzylpiperidin-1-yl)-(2-methoxy-4-methylsulfanylphenyl)methanone
CID 1126109
(4-benzylpiperidin-1-yl)-(2-bromo-5-methoxyphenyl)methanone
CID 27553728
2-[1-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]piperidin-4-yl]acetic acid
CID 119178331
(4-benzylpiperidin-1-yl)-(5,6-dimethoxy-1H-indol-3-yl)methanone
CID 113206938
(4-benzylpiperidin-1-yl)-(2-methoxy-5-nitrophenyl)methanone
CID 9204523
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(4-benzylpiperidin-1-yl)-(3-bromo-4-ethoxy-5-methoxyphenyl)methanone
CID 35510412
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
(4-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone
CID 119375235
(4-benzylpiperidin-1-yl)-(6-methoxy-7-phenylmethoxy-1H-indol-2-yl)methanone
CID 70008160
1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 740892

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(3-methoxy-5-methylthiophen-2-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(3-methoxy-5-methylthiophen-2-yl)methanone (CID 68628444) is (4-benzylpiperidin-1-yl)-(3-methoxy-5-methylthiophen-2-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(3-methoxy-5-methylthiophen-2-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(3-methoxy-5-methylthiophen-2-yl)methanone is COc1cc(C)sc1C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(3-methoxy-5-methylthiophen-2-yl)methanone?
The InChIKey is SQIYKFIWPADKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-14-12-17(22-2)18(23-14)19(21)20-10-8-16(9-11-20)13-15-6-4-3-5-7-15/h3-7,12,16H,8-11,13H2,1-2H3.
What are the key properties of (4-benzylpiperidin-1-yl)-(3-methoxy-5-methylthiophen-2-yl)methanone?
(4-benzylpiperidin-1-yl)-(3-methoxy-5-methylthiophen-2-yl)methanone has a molecular weight of 329.47 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(3-methoxy-5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 68628444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).