2-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide

C15H25N3O4S2 — CID 167927906

IUPAC2-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
SMILESCCC(NC(=O)COC1CCN(S(C)(=O)=O)CC1)c1nc(C)cs1
InChIInChI=1S/C15H25N3O4S2/c1-4-13(15-16-11(2)10-23-15)17-14(19)9-22-12-5-7-18(8-6-12)24(3,20)21/h10,12-13H,4-9H2,1-3H3,(H,17,19)
InChIKeyAIGDBHJEZVZWBN-UHFFFAOYSA-N
MW375.52 g/mol
LogP1.46
Rot. Bonds7

About 2-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide

2-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide (PubChem CID 167927906) has the molecular formula C15H25N3O4S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 2-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
PubChem CID167927906
Molecular FormulaC15H25N3O4S2
Molecular Weight375.52 g/mol
Exact Mass375.13
IUPAC Name2-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
SMILESCCC(NC(=O)COC1CCN(S(C)(=O)=O)CC1)c1nc(C)cs1
InChIInChI=1S/C15H25N3O4S2/c1-4-13(15-16-11(2)10-23-15)17-14(19)9-22-12-5-7-18(8-6-12)24(3,20)21/h10,12-13H,4-9H2,1-3H3,(H,17,19)
InChIKeyAIGDBHJEZVZWBN-UHFFFAOYSA-N
XLogP1.46
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119879043
ethyl 4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]amino]piperidine-1-carboxylate
CID 97056254
2,2-dimethyl-4-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-4-oxobutanoic acid
CID 119133807
4-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
CID 119879007
N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 119879072
1-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119878993
(3S)-3-(2-amino-2-oxoethyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 97025955
(1S)-2,2-dichloro-1-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
CID 95334068
(2S)-2-amino-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide
CID 119879076
1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 51323360
2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]oxyacetic acid
CID 63904542
4-(2-amino-2-oxoethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 119121657

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide?
The IUPAC name of 2-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide (CID 167927906) is 2-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide is CCC(NC(=O)COC1CCN(S(C)(=O)=O)CC1)c1nc(C)cs1.
What is the InChIKey of 2-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide?
The InChIKey is AIGDBHJEZVZWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S2/c1-4-13(15-16-11(2)10-23-15)17-14(19)9-22-12-5-7-18(8-6-12)24(3,20)21/h10,12-13H,4-9H2,1-3H3,(H,17,19).
What are the key properties of 2-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide?
2-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide has a molecular weight of 375.52 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide is sourced from PubChem (CID 167927906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).