N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide

C16H25N3O3S — CID 72879635

IUPACN-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
SMILESCCc1nc(C)c(CNC(=O)C2CCN(C(=O)COC)CC2)s1
InChIInChI=1S/C16H25N3O3S/c1-4-14-18-11(2)13(23-14)9-17-16(21)12-5-7-19(8-6-12)15(20)10-22-3/h12H,4-10H2,1-3H3,(H,17,21)
InChIKeyRPZREEOJRFNSOM-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.52
Rot. Bonds6

About N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide

N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide (PubChem CID 72879635) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
PubChem CID72879635
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
SMILESCCc1nc(C)c(CNC(=O)C2CCN(C(=O)COC)CC2)s1
InChIInChI=1S/C16H25N3O3S/c1-4-14-18-11(2)13(23-14)9-17-16(21)12-5-7-19(8-6-12)15(20)10-22-3/h12H,4-10H2,1-3H3,(H,17,21)
InChIKeyRPZREEOJRFNSOM-UHFFFAOYSA-N
XLogP1.52
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
CID 72898570
1-acetyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 121122731
1-(2-methoxyacetyl)-N-[(5-methylpyrazin-2-yl)methyl]piperidine-4-carboxamide
CID 72863250
(3R)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 97276822
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]cyclobutanecarboxamide
CID 121122773
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 121122676
(3R)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 126450586
1-acetyl-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide
CID 86263734
(2R)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 125435815
1-(cyclobutanecarbonyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-4-carboxamide
CID 72889005
N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide
CID 110645417
N-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide
CID 110645371

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide (CID 72879635) is N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide is CCc1nc(C)c(CNC(=O)C2CCN(C(=O)COC)CC2)s1.
What is the InChIKey of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide?
The InChIKey is RPZREEOJRFNSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-4-14-18-11(2)13(23-14)9-17-16(21)12-5-7-19(8-6-12)15(20)10-22-3/h12H,4-10H2,1-3H3,(H,17,21).
What are the key properties of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide?
N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 72879635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).