N-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide

C17H23N3O3 — CID 120622699

IUPACN-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCCc1nc2cc(NC(=O)C3(COC)CCNCC3)ccc2o1
InChIInChI=1S/C17H23N3O3/c1-3-15-20-13-10-12(4-5-14(13)23-15)19-16(21)17(11-22-2)6-8-18-9-7-17/h4-5,10,18H,3,6-9,11H2,1-2H3,(H,19,21)
InChIKeyLVIKUKZUMRFTSE-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.34
Rot. Bonds5

About N-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide

N-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120622699) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120622699
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCCc1nc2cc(NC(=O)C3(COC)CCNCC3)ccc2o1
InChIInChI=1S/C17H23N3O3/c1-3-15-20-13-10-12(4-5-14(13)23-15)19-16(21)17(11-22-2)6-8-18-9-7-17/h4-5,10,18H,3,6-9,11H2,1-2H3,(H,19,21)
InChIKeyLVIKUKZUMRFTSE-UHFFFAOYSA-N
XLogP2.34
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide (CID 120622699) is N-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide is CCc1nc2cc(NC(=O)C3(COC)CCNCC3)ccc2o1.
What is the InChIKey of N-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is LVIKUKZUMRFTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-15-20-13-10-12(4-5-14(13)23-15)19-16(21)17(11-22-2)6-8-18-9-7-17/h4-5,10,18H,3,6-9,11H2,1-2H3,(H,19,21).
What are the key properties of N-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide?
N-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120622699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).