1-(2-methylpiperidin-1-yl)-2-[4-[2-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]ethanone

C23H30N4O3S — CID 78848467

IUPAC1-(2-methylpiperidin-1-yl)-2-[4-[2-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]ethanone
SMILESCC1CCCCN1C(=O)CN1CCN(C(=O)c2ccccc2OCc2cscn2)CC1
InChIInChI=1S/C23H30N4O3S/c1-18-6-4-5-9-27(18)22(28)14-25-10-12-26(13-11-25)23(29)20-7-2-3-8-21(20)30-15-19-16-31-17-24-19/h2-3,7-8,16-18H,4-6,9-15H2,1H3
InChIKeyGPEYMCFLDAFVRA-UHFFFAOYSA-N
MW442.59 g/mol
LogP2.88
Rot. Bonds6

About 1-(2-methylpiperidin-1-yl)-2-[4-[2-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]ethanone

1-(2-methylpiperidin-1-yl)-2-[4-[2-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]ethanone (PubChem CID 78848467) has the molecular formula C23H30N4O3S and a molecular weight of 442.59 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)-2-[4-[2-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)-2-[4-[2-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]ethanone
PubChem CID78848467
Molecular FormulaC23H30N4O3S
Molecular Weight442.59 g/mol
Exact Mass442.20
IUPAC Name1-(2-methylpiperidin-1-yl)-2-[4-[2-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]ethanone
SMILESCC1CCCCN1C(=O)CN1CCN(C(=O)c2ccccc2OCc2cscn2)CC1
InChIInChI=1S/C23H30N4O3S/c1-18-6-4-5-9-27(18)22(28)14-25-10-12-26(13-11-25)23(29)20-7-2-3-8-21(20)30-15-19-16-31-17-24-19/h2-3,7-8,16-18H,4-6,9-15H2,1H3
InChIKeyGPEYMCFLDAFVRA-UHFFFAOYSA-N
XLogP2.88
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2-methylpiperidin-1-yl)-2-[4-[2-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

(3S)-1-[2-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 99638936
[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-[2-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 125146059
2-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 94824147
(1S,6R,7R)-3-[2-(1,3-thiazol-4-ylmethoxy)benzoyl]-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
CID 166254770
1-(2-methylpiperidin-1-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
CID 55563722
2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 55575041
2-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30543175
2-[4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 48691563
2-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55467016
2-methyl-6-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]pyridazin-3-one
CID 134043793
1-(2-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 46390077
N'-hydroxy-2-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide
CID 43332975

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)-2-[4-[2-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-(2-methylpiperidin-1-yl)-2-[4-[2-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]ethanone (CID 78848467) is 1-(2-methylpiperidin-1-yl)-2-[4-[2-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)-2-[4-[2-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)-2-[4-[2-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]ethanone is CC1CCCCN1C(=O)CN1CCN(C(=O)c2ccccc2OCc2cscn2)CC1.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)-2-[4-[2-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]ethanone?
The InChIKey is GPEYMCFLDAFVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3S/c1-18-6-4-5-9-27(18)22(28)14-25-10-12-26(13-11-25)23(29)20-7-2-3-8-21(20)30-15-19-16-31-17-24-19/h2-3,7-8,16-18H,4-6,9-15H2,1H3.
What are the key properties of 1-(2-methylpiperidin-1-yl)-2-[4-[2-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]ethanone?
1-(2-methylpiperidin-1-yl)-2-[4-[2-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]ethanone has a molecular weight of 442.59 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)-2-[4-[2-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 78848467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).