(4-thiophen-2-ylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone

C19H23NO4S — CID 90522152

IUPAC(4-thiophen-2-ylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCC(c3cccs3)CC2)cc(OC)c1OC
InChIInChI=1S/C19H23NO4S/c1-22-15-11-14(12-16(23-2)18(15)24-3)19(21)20-8-6-13(7-9-20)17-5-4-10-25-17/h4-5,10-13H,6-9H2,1-3H3
InChIKeyVYUURNBKVIVPCI-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.79
Rot. Bonds5

About (4-thiophen-2-ylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone

(4-thiophen-2-ylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 90522152) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is (4-thiophen-2-ylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-thiophen-2-ylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID90522152
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name(4-thiophen-2-ylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCC(c3cccs3)CC2)cc(OC)c1OC
InChIInChI=1S/C19H23NO4S/c1-22-15-11-14(12-16(23-2)18(15)24-3)19(21)20-8-6-13(7-9-20)17-5-4-10-25-17/h4-5,10-13H,6-9H2,1-3H3
InChIKeyVYUURNBKVIVPCI-UHFFFAOYSA-N
XLogP3.79
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

thiophen-3-yl-(4-thiophen-2-ylpiperidin-1-yl)methanone
CID 71786843
(4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110725274
(4-bromopiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 80656388
phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1010280
(3,4-dimethoxyphenyl)-(1,1-dioxo-7-thiophen-2-yl-1,4-thiazepan-4-yl)methanone
CID 121191385
(4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110708525
[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155942225
3,4,5-trimethoxy-N'-[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]benzohydrazide
CID 17479380
(2-methoxyphenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1072088
(2-thiophen-2-yl-1,3-oxazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 67120468
[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 92594074
(2-methylphenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone
CID 71786844

Frequently Asked Questions

What is the IUPAC name of (4-thiophen-2-ylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (4-thiophen-2-ylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 90522152) is (4-thiophen-2-ylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (4-thiophen-2-ylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (4-thiophen-2-ylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2CCC(c3cccs3)CC2)cc(OC)c1OC.
What is the InChIKey of (4-thiophen-2-ylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is VYUURNBKVIVPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-22-15-11-14(12-16(23-2)18(15)24-3)19(21)20-8-6-13(7-9-20)17-5-4-10-25-17/h4-5,10-13H,6-9H2,1-3H3.
What are the key properties of (4-thiophen-2-ylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
(4-thiophen-2-ylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 361.46 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-thiophen-2-ylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 90522152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).