1-(1,3-benzoxazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C19H20N4O2 — CID 5046003

IUPAC1-(1,3-benzoxazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccn1)C1CCCN(c2nc3ccccc3o2)C1
InChIInChI=1S/C19H20N4O2/c24-18(21-12-15-7-3-4-10-20-15)14-6-5-11-23(13-14)19-22-16-8-1-2-9-17(16)25-19/h1-4,7-10,14H,5-6,11-13H2,(H,21,24)
InChIKeyLSDXSHQTWJORDO-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.76
Rot. Bonds4

About 1-(1,3-benzoxazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

1-(1,3-benzoxazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 5046003) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID5046003
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccn1)C1CCCN(c2nc3ccccc3o2)C1
InChIInChI=1S/C19H20N4O2/c24-18(21-12-15-7-3-4-10-20-15)14-6-5-11-23(13-14)19-22-16-8-1-2-9-17(16)25-19/h1-4,7-10,14H,5-6,11-13H2,(H,21,24)
InChIKeyLSDXSHQTWJORDO-UHFFFAOYSA-N
XLogP2.76
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 5046003) is 1-(1,3-benzoxazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is O=C(NCc1ccccn1)C1CCCN(c2nc3ccccc3o2)C1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is LSDXSHQTWJORDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-18(21-12-15-7-3-4-10-20-15)14-6-5-11-23(13-14)19-22-16-8-1-2-9-17(16)25-19/h1-4,7-10,14H,5-6,11-13H2,(H,21,24).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 5046003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).