N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpiperidine-3-carboxamide

C16H21N3O2 — CID 91766973

IUPACN-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpiperidine-3-carboxamide
SMILESCN1CCCC(C(=O)NCCc2nc3ccccc3o2)C1
InChIInChI=1S/C16H21N3O2/c1-19-10-4-5-12(11-19)16(20)17-9-8-15-18-13-6-2-3-7-14(13)21-15/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,17,20)
InChIKeyHOCSMNBTEJCDJK-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.83
Rot. Bonds4

About N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpiperidine-3-carboxamide

N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpiperidine-3-carboxamide (PubChem CID 91766973) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpiperidine-3-carboxamide
PubChem CID91766973
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpiperidine-3-carboxamide
SMILESCN1CCCC(C(=O)NCCc2nc3ccccc3o2)C1
InChIInChI=1S/C16H21N3O2/c1-19-10-4-5-12(11-19)16(20)17-9-8-15-18-13-6-2-3-7-14(13)21-15/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,17,20)
InChIKeyHOCSMNBTEJCDJK-UHFFFAOYSA-N
XLogP1.83
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-hydroxy-1-methylpiperidine-3-carboxamide
CID 157014343
N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-propanoylpiperidine-4-carboxamide
CID 118764984
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 125172224
(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-[2-(methylamino)ethyl]piperidine-3-carboxamide
CID 95555683
1-(1,3-benzoxazol-2-yl)-N-(3-ethoxypropyl)piperidine-3-carboxamide
CID 3654131
(1S,2R,4S,5R)-N-[2-(1,3-benzoxazol-2-yl)ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 119070473
N-(1,3-benzoxazol-2-ylmethyl)cyclohexanecarboxamide
CID 110711622
1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 45181110
N-[2-(1,3-benzoxazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110741831
1-(1,3-benzoxazol-2-yl)-N-benzylpiperidine-3-carboxamide
CID 3622789
N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide
CID 110475867
1-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidine-3-carboxamide
CID 90537576

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpiperidine-3-carboxamide (CID 91766973) is N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpiperidine-3-carboxamide is CN1CCCC(C(=O)NCCc2nc3ccccc3o2)C1.
What is the InChIKey of N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpiperidine-3-carboxamide?
The InChIKey is HOCSMNBTEJCDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-19-10-4-5-12(11-19)16(20)17-9-8-15-18-13-6-2-3-7-14(13)21-15/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,17,20).
What are the key properties of N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpiperidine-3-carboxamide?
N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpiperidine-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 91766973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).