N-(1,2-benzoxazol-3-yl)-3-methyl-3-phenylpiperidine-1-carboxamide

C20H21N3O2 — CID 42646450

IUPACN-(1,2-benzoxazol-3-yl)-3-methyl-3-phenylpiperidine-1-carboxamide
SMILESCC1(c2ccccc2)CCCN(C(=O)Nc2noc3ccccc23)C1
InChIInChI=1S/C20H21N3O2/c1-20(15-8-3-2-4-9-15)12-7-13-23(14-20)19(24)21-18-16-10-5-6-11-17(16)25-22-18/h2-6,8-11H,7,12-14H2,1H3,(H,21,22,24)
InChIKeyRECUJGQMLDHPOK-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.41
Rot. Bonds2

About N-(1,2-benzoxazol-3-yl)-3-methyl-3-phenylpiperidine-1-carboxamide

N-(1,2-benzoxazol-3-yl)-3-methyl-3-phenylpiperidine-1-carboxamide (PubChem CID 42646450) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(1,2-benzoxazol-3-yl)-3-methyl-3-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,2-benzoxazol-3-yl)-3-methyl-3-phenylpiperidine-1-carboxamide
PubChem CID42646450
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(1,2-benzoxazol-3-yl)-3-methyl-3-phenylpiperidine-1-carboxamide
SMILESCC1(c2ccccc2)CCCN(C(=O)Nc2noc3ccccc23)C1
InChIInChI=1S/C20H21N3O2/c1-20(15-8-3-2-4-9-15)12-7-13-23(14-20)19(24)21-18-16-10-5-6-11-17(16)25-22-18/h2-6,8-11H,7,12-14H2,1H3,(H,21,22,24)
InChIKeyRECUJGQMLDHPOK-UHFFFAOYSA-N
XLogP4.41
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzoxazol-3-yl)-3-methyl-3-phenylpiperidine-1-carboxamide?
The IUPAC name of N-(1,2-benzoxazol-3-yl)-3-methyl-3-phenylpiperidine-1-carboxamide (CID 42646450) is N-(1,2-benzoxazol-3-yl)-3-methyl-3-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-(1,2-benzoxazol-3-yl)-3-methyl-3-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-(1,2-benzoxazol-3-yl)-3-methyl-3-phenylpiperidine-1-carboxamide is CC1(c2ccccc2)CCCN(C(=O)Nc2noc3ccccc23)C1.
What is the InChIKey of N-(1,2-benzoxazol-3-yl)-3-methyl-3-phenylpiperidine-1-carboxamide?
The InChIKey is RECUJGQMLDHPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-20(15-8-3-2-4-9-15)12-7-13-23(14-20)19(24)21-18-16-10-5-6-11-17(16)25-22-18/h2-6,8-11H,7,12-14H2,1H3,(H,21,22,24).
What are the key properties of N-(1,2-benzoxazol-3-yl)-3-methyl-3-phenylpiperidine-1-carboxamide?
N-(1,2-benzoxazol-3-yl)-3-methyl-3-phenylpiperidine-1-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzoxazol-3-yl)-3-methyl-3-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 42646450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).