[3-(difluoromethoxy)-5-methylthiophen-2-yl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone

C15H22F2N2O2S — CID 56790599

IUPAC[3-(difluoromethoxy)-5-methylthiophen-2-yl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
SMILESCc1cc(OC(F)F)c(C(=O)N2CCC(CN(C)C)CC2)s1
InChIInChI=1S/C15H22F2N2O2S/c1-10-8-12(21-15(16)17)13(22-10)14(20)19-6-4-11(5-7-19)9-18(2)3/h8,11,15H,4-7,9H2,1-3H3
InChIKeyYULWUQXLEFQFLI-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.07
Rot. Bonds5

About [3-(difluoromethoxy)-5-methylthiophen-2-yl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone

[3-(difluoromethoxy)-5-methylthiophen-2-yl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone (PubChem CID 56790599) has the molecular formula C15H22F2N2O2S and a molecular weight of 332.42 g/mol. Its IUPAC name is [3-(difluoromethoxy)-5-methylthiophen-2-yl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(difluoromethoxy)-5-methylthiophen-2-yl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
PubChem CID56790599
Molecular FormulaC15H22F2N2O2S
Molecular Weight332.42 g/mol
Exact Mass332.14
IUPAC Name[3-(difluoromethoxy)-5-methylthiophen-2-yl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
SMILESCc1cc(OC(F)F)c(C(=O)N2CCC(CN(C)C)CC2)s1
InChIInChI=1S/C15H22F2N2O2S/c1-10-8-12(21-15(16)17)13(22-10)14(20)19-6-4-11(5-7-19)9-18(2)3/h8,11,15H,4-7,9H2,1-3H3
InChIKeyYULWUQXLEFQFLI-UHFFFAOYSA-N
XLogP3.07
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(difluoromethoxy)-5-methylthiophen-2-yl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[3-(Difluoromethoxy)-5-methylthiophen-2-yl]-[4-(ethoxymethyl)piperidin-1-yl]methanone
CID 72013954
[3-(Difluoromethoxy)-5-methylthiophen-2-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 72014074
(4-Cyclopropylpiperazin-1-yl)-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone
CID 72014113
[3-(difluoromethoxy)-5-methylthiophen-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 72105449
(3R*,4R*)-4-ethyl-1-[(3-methoxy-5-methyl-2-thienyl)carbonyl]piperidine-3,4-diol
CID 70772159
[4-(2,2-Difluoroethyl)piperazin-1-yl]-[3-(difluoromethoxy)thiophen-2-yl]methanone
CID 53609254
3-(difluoromethoxy)-N-[4-(dimethylamino)butan-2-yl]-5-methylthiophene-2-carboxamide
CID 56790601
[3-(Difluoromethoxy)-5-methylthiophen-2-yl]-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
CID 72134852
3-methoxy-5-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 77079580
3-methoxy-N,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]thiophene-2-carboxamide
CID 97213639
3-(difluoromethoxy)-5-methyl-N-(2-sulfanylethyl)thiophene-2-carboxamide
CID 177679782
Tert-butyl 4-[5-(difluoromethyl)-2-(methoxycarbamoyl)thiophen-3-yl]oxypiperidine-1-carboxylate
CID 176084402

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)-5-methylthiophen-2-yl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The IUPAC name of [3-(difluoromethoxy)-5-methylthiophen-2-yl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone (CID 56790599) is [3-(difluoromethoxy)-5-methylthiophen-2-yl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [3-(difluoromethoxy)-5-methylthiophen-2-yl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [3-(difluoromethoxy)-5-methylthiophen-2-yl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone is Cc1cc(OC(F)F)c(C(=O)N2CCC(CN(C)C)CC2)s1.
What is the InChIKey of [3-(difluoromethoxy)-5-methylthiophen-2-yl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The InChIKey is YULWUQXLEFQFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2S/c1-10-8-12(21-15(16)17)13(22-10)14(20)19-6-4-11(5-7-19)9-18(2)3/h8,11,15H,4-7,9H2,1-3H3.
What are the key properties of [3-(difluoromethoxy)-5-methylthiophen-2-yl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
[3-(difluoromethoxy)-5-methylthiophen-2-yl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone has a molecular weight of 332.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)-5-methylthiophen-2-yl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56790599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).