2-methoxy-1-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone

C16H24N4O3S — CID 72930668

IUPAC2-methoxy-1-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCC(C(=O)N2CCN(c3nccs3)CC2)C1
InChIInChI=1S/C16H24N4O3S/c1-23-12-14(21)20-5-2-3-13(11-20)15(22)18-6-8-19(9-7-18)16-17-4-10-24-16/h4,10,13H,2-3,5-9,11-12H2,1H3
InChIKeyUSDVBYFBDCJNAY-UHFFFAOYSA-N
MW352.46 g/mol
LogP0.68
Rot. Bonds4

About 2-methoxy-1-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone

2-methoxy-1-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 72930668) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-methoxy-1-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID72930668
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC Name2-methoxy-1-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCC(C(=O)N2CCN(c3nccs3)CC2)C1
InChIInChI=1S/C16H24N4O3S/c1-23-12-14(21)20-5-2-3-13(11-20)15(22)18-6-8-19(9-7-18)16-17-4-10-24-16/h4,10,13H,2-3,5-9,11-12H2,1H3
InChIKeyUSDVBYFBDCJNAY-UHFFFAOYSA-N
XLogP0.68
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-1-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

(3S)-N,N-dimethyl-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 94162861
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
(4-methylpiperazin-1-yl)-[1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56863070
2-ethoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60708282
piperidin-3-yl-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone;dihydrochloride
CID 119863925
[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 134050436
2-methoxy-1-[4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 97202324
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 120634143
1-[(2R)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 94551535
1-[(2S)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 75479662
2-amino-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone
CID 83634826
1-[(3S)-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)piperidin-1-yl]-2-methoxyethanone
CID 97193702

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone (CID 72930668) is 2-methoxy-1-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone is COCC(=O)N1CCCC(C(=O)N2CCN(c3nccs3)CC2)C1.
What is the InChIKey of 2-methoxy-1-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is USDVBYFBDCJNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-23-12-14(21)20-5-2-3-13(11-20)15(22)18-6-8-19(9-7-18)16-17-4-10-24-16/h4,10,13H,2-3,5-9,11-12H2,1H3.
What are the key properties of 2-methoxy-1-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
2-methoxy-1-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 352.46 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 72930668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).