[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-(2-ethoxy-3-fluorophenyl)methanone

C18H25FN2O4S — CID 136521521

IUPAC[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-(2-ethoxy-3-fluorophenyl)methanone
SMILESCCOc1c(F)cccc1C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C18H25FN2O4S/c1-2-25-17-15(4-3-5-16(17)19)18(22)21-8-6-14(7-9-21)20-10-12-26(23,24)13-11-20/h3-5,14H,2,6-13H2,1H3
InChIKeyKMPKNEVQFZPYIZ-UHFFFAOYSA-N
MW384.47 g/mol
LogP1.56
Rot. Bonds4

About [4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-(2-ethoxy-3-fluorophenyl)methanone

[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-(2-ethoxy-3-fluorophenyl)methanone (PubChem CID 136521521) has the molecular formula C18H25FN2O4S and a molecular weight of 384.47 g/mol. Its IUPAC name is [4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-(2-ethoxy-3-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-(2-ethoxy-3-fluorophenyl)methanone
PubChem CID136521521
Molecular FormulaC18H25FN2O4S
Molecular Weight384.47 g/mol
Exact Mass384.15
IUPAC Name[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-(2-ethoxy-3-fluorophenyl)methanone
SMILESCCOc1c(F)cccc1C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C18H25FN2O4S/c1-2-25-17-15(4-3-5-16(17)19)18(22)21-8-6-14(7-9-21)20-10-12-26(23,24)13-11-20/h3-5,14H,2,6-13H2,1H3
InChIKeyKMPKNEVQFZPYIZ-UHFFFAOYSA-N
XLogP1.56
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-(2-ethoxy-3-fluorophenyl)methanone with MolForge

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Related Compounds

(2-ethoxy-3-fluorophenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 124607460
(5-chloro-2-methoxyphenyl)-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]methanone
CID 136521523
2-[4-(2-ethoxy-3-fluorobenzoyl)morpholin-2-yl]acetic acid
CID 119247688
(2,3-difluorophenyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 113234293
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-fluoro-3-methylphenyl)methanone
CID 80711261
[4-(azepan-1-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110667097
ethyl 1-(2-amino-3-fluorobenzoyl)piperidine-4-carboxylate
CID 80503441
(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 796441
(2-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977657
(2,3-dichlorophenyl)-[4-(1,1-dioxothian-4-yl)piperazin-1-yl]methanone
CID 91819175
[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 90616897
(2-fluorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617593

Frequently Asked Questions

What is the IUPAC name of [4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-(2-ethoxy-3-fluorophenyl)methanone?
The IUPAC name of [4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-(2-ethoxy-3-fluorophenyl)methanone (CID 136521521) is [4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-(2-ethoxy-3-fluorophenyl)methanone.
What is the SMILES notation for [4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-(2-ethoxy-3-fluorophenyl)methanone?
The canonical SMILES for [4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-(2-ethoxy-3-fluorophenyl)methanone is CCOc1c(F)cccc1C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of [4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-(2-ethoxy-3-fluorophenyl)methanone?
The InChIKey is KMPKNEVQFZPYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O4S/c1-2-25-17-15(4-3-5-16(17)19)18(22)21-8-6-14(7-9-21)20-10-12-26(23,24)13-11-20/h3-5,14H,2,6-13H2,1H3.
What are the key properties of [4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-(2-ethoxy-3-fluorophenyl)methanone?
[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-(2-ethoxy-3-fluorophenyl)methanone has a molecular weight of 384.47 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-(2-ethoxy-3-fluorophenyl)methanone is sourced from PubChem (CID 136521521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).