(2-ethylpiperidin-1-yl)-(2-methyl-1,3-benzoxazol-5-yl)methanone

C16H20N2O2 — CID 110387974

IUPAC(2-ethylpiperidin-1-yl)-(2-methyl-1,3-benzoxazol-5-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccc2oc(C)nc2c1
InChIInChI=1S/C16H20N2O2/c1-3-13-6-4-5-9-18(13)16(19)12-7-8-15-14(10-12)17-11(2)20-15/h7-8,10,13H,3-6,9H2,1-2H3
InChIKeyWXQMTCSIBUCMHP-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.54
Rot. Bonds2

About (2-ethylpiperidin-1-yl)-(2-methyl-1,3-benzoxazol-5-yl)methanone

(2-ethylpiperidin-1-yl)-(2-methyl-1,3-benzoxazol-5-yl)methanone (PubChem CID 110387974) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-(2-methyl-1,3-benzoxazol-5-yl)methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-(2-methyl-1,3-benzoxazol-5-yl)methanone
PubChem CID110387974
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(2-ethylpiperidin-1-yl)-(2-methyl-1,3-benzoxazol-5-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccc2oc(C)nc2c1
InChIInChI=1S/C16H20N2O2/c1-3-13-6-4-5-9-18(13)16(19)12-7-8-15-14(10-12)17-11(2)20-15/h7-8,10,13H,3-6,9H2,1-2H3
InChIKeyWXQMTCSIBUCMHP-UHFFFAOYSA-N
XLogP3.54
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 51711835
[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 120949803
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
ethyl 1-(2-methyl-1,3-benzoxazole-5-carbonyl)piperidine-4-carboxylate
CID 110766273
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
ethyl 2-[(2R)-1-(2-butyl-1,3-benzoxazole-5-carbonyl)piperidin-2-yl]acetate
CID 25458451
(4-bromo-3-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 112705639
(2-butyl-1,3-benzoxazol-5-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 24794237
(2-ethylpiperidin-1-yl)-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 112760191
N-[2-[1-(2-butyl-1,3-benzoxazole-5-carbonyl)piperidin-2-yl]ethyl]acetamide
CID 24817041
(2-ethylpiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone
CID 63210086
[(2S)-2-(hydroxymethyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone
CID 25380800

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-(2-methyl-1,3-benzoxazol-5-yl)methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-(2-methyl-1,3-benzoxazol-5-yl)methanone (CID 110387974) is (2-ethylpiperidin-1-yl)-(2-methyl-1,3-benzoxazol-5-yl)methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-(2-methyl-1,3-benzoxazol-5-yl)methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-(2-methyl-1,3-benzoxazol-5-yl)methanone is CCC1CCCCN1C(=O)c1ccc2oc(C)nc2c1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-(2-methyl-1,3-benzoxazol-5-yl)methanone?
The InChIKey is WXQMTCSIBUCMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-13-6-4-5-9-18(13)16(19)12-7-8-15-14(10-12)17-11(2)20-15/h7-8,10,13H,3-6,9H2,1-2H3.
What are the key properties of (2-ethylpiperidin-1-yl)-(2-methyl-1,3-benzoxazol-5-yl)methanone?
(2-ethylpiperidin-1-yl)-(2-methyl-1,3-benzoxazol-5-yl)methanone has a molecular weight of 272.35 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-(2-methyl-1,3-benzoxazol-5-yl)methanone is sourced from PubChem (CID 110387974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).