[3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone

C15H25N3O3S — CID 72873894

IUPAC[3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
SMILESCNc1nc(C(=O)N2CCCC(CO)(CCCOC)C2)cs1
InChIInChI=1S/C15H25N3O3S/c1-16-14-17-12(9-22-14)13(20)18-7-3-5-15(10-18,11-19)6-4-8-21-2/h9,19H,3-8,10-11H2,1-2H3,(H,16,17)
InChIKeySDNPKGGXMCEYHW-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.83
Rot. Bonds7

About [3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone

[3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone (PubChem CID 72873894) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is [3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
PubChem CID72873894
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name[3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
SMILESCNc1nc(C(=O)N2CCCC(CO)(CCCOC)C2)cs1
InChIInChI=1S/C15H25N3O3S/c1-16-14-17-12(9-22-14)13(20)18-7-3-5-15(10-18,11-19)6-4-8-21-2/h9,19H,3-8,10-11H2,1-2H3,(H,16,17)
InChIKeySDNPKGGXMCEYHW-UHFFFAOYSA-N
XLogP1.83
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone
CID 72932601
(5R)-7-(2-methoxyethyl)-2-[2-(methylamino)-1,3-thiazole-4-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97119877
[2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea
CID 97136708
(2,6-dimethylpyrimidin-4-yl)-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone
CID 97138865
(5-chlorofuran-2-yl)-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97150459
[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
CID 72925090
[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 72941054
[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 72847014
1-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 97153059
(3S)-N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carboxamide
CID 97132051
3-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]propanoic acid
CID 97125742
[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 97149586

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone (CID 72873894) is [3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone is CNc1nc(C(=O)N2CCCC(CO)(CCCOC)C2)cs1.
What is the InChIKey of [3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The InChIKey is SDNPKGGXMCEYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-16-14-17-12(9-22-14)13(20)18-7-3-5-15(10-18,11-19)6-4-8-21-2/h9,19H,3-8,10-11H2,1-2H3,(H,16,17).
What are the key properties of [3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
[3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone has a molecular weight of 327.45 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 72873894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).