1-(1,3-benzoxazol-2-yl)-N-benzylpiperidine-3-carboxamide

C20H21N3O2 — CID 3622789

IUPAC1-(1,3-benzoxazol-2-yl)-N-benzylpiperidine-3-carboxamide
SMILESO=C(NCc1ccccc1)C1CCCN(c2nc3ccccc3o2)C1
InChIInChI=1S/C20H21N3O2/c24-19(21-13-15-7-2-1-3-8-15)16-9-6-12-23(14-16)20-22-17-10-4-5-11-18(17)25-20/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,21,24)
InChIKeyJSTPUCQUHCDDFZ-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.36
Rot. Bonds4

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

1-(1,3-benzoxazol-2-yl)-N-benzylpiperidine-3-carboxamide (PubChem CID 3622789) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-benzylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-benzylpiperidine-3-carboxamide
PubChem CID3622789
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-benzylpiperidine-3-carboxamide
SMILESO=C(NCc1ccccc1)C1CCCN(c2nc3ccccc3o2)C1
InChIInChI=1S/C20H21N3O2/c24-19(21-13-15-7-2-1-3-8-15)16-9-6-12-23(14-16)20-22-17-10-4-5-11-18(17)25-20/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,21,24)
InChIKeyJSTPUCQUHCDDFZ-UHFFFAOYSA-N
XLogP3.36
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
CID 51373554
1-(1,3-benzoxazol-2-yl)-N-(3-ethoxypropyl)piperidine-3-carboxamide
CID 3654131
1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-benzylurea
CID 121109523
1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 45181110
(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-[2-(methylamino)ethyl]piperidine-3-carboxamide
CID 95555683
(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 25458988
(2R)-1-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 97427865
(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-prop-2-enylpiperidine-3-carboxamide
CID 42466053
N-benzyl-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide
CID 46106509
1-(1,3-benzoxazol-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 17494872
N-benzyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53033911
N-[[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]methyl]cyclopropanamine
CID 62586348

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-benzylpiperidine-3-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-benzylpiperidine-3-carboxamide (CID 3622789) is 1-(1,3-benzoxazol-2-yl)-N-benzylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-benzylpiperidine-3-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-benzylpiperidine-3-carboxamide is O=C(NCc1ccccc1)C1CCCN(c2nc3ccccc3o2)C1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-benzylpiperidine-3-carboxamide?
The InChIKey is JSTPUCQUHCDDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-19(21-13-15-7-2-1-3-8-15)16-9-6-12-23(14-16)20-22-17-10-4-5-11-18(17)25-20/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,21,24).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-benzylpiperidine-3-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-benzylpiperidine-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-benzylpiperidine-3-carboxamide is sourced from PubChem (CID 3622789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).