(2R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide

C18H21N3O2S — CID 126446067

IUPAC(2R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc2c(c1)CCO2)N1CCCC[C@@H]1c1nccs1
InChIInChI=1S/C18H21N3O2S/c22-18(20-12-13-4-5-16-14(11-13)6-9-23-16)21-8-2-1-3-15(21)17-19-7-10-24-17/h4-5,7,10-11,15H,1-3,6,8-9,12H2,(H,20,22)/t15-/m1/s1
InChIKeyRRDDPJOEXFNEQV-OAHLLOKOSA-N
MW343.45 g/mol
LogP3.51
Rot. Bonds3

About (2R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide

(2R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide (PubChem CID 126446067) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is (2R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
PubChem CID126446067
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name(2R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc2c(c1)CCO2)N1CCCC[C@@H]1c1nccs1
InChIInChI=1S/C18H21N3O2S/c22-18(20-12-13-4-5-16-14(11-13)6-9-23-16)21-8-2-1-3-15(21)17-19-7-10-24-17/h4-5,7,10-11,15H,1-3,6,8-9,12H2,(H,20,22)/t15-/m1/s1
InChIKeyRRDDPJOEXFNEQV-OAHLLOKOSA-N
XLogP3.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(2R)-2-pyridin-4-ylazepan-1-yl]ethanone
CID 94249722
(2R)-N-(1,3-benzodioxol-5-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 97283745
3-(1,3-benzodioxol-5-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95761205
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 99928980
(2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 124608851
(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 97252849
(2R)-N-(2-propan-2-ylsulfanylethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 125143068
N-[2-(5-methylfuran-2-yl)ethyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 121495520
2-(1,3-thiazol-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
CID 127610500
2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95761217
3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 72915818

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide (CID 126446067) is (2R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide is O=C(NCc1ccc2c(c1)CCO2)N1CCCC[C@@H]1c1nccs1.
What is the InChIKey of (2R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is RRDDPJOEXFNEQV-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-18(20-12-13-4-5-16-14(11-13)6-9-23-16)21-8-2-1-3-15(21)17-19-7-10-24-17/h4-5,7,10-11,15H,1-3,6,8-9,12H2,(H,20,22)/t15-/m1/s1.
What are the key properties of (2R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
(2R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 126446067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).