2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-4-carboxamide

C18H18N4O2 — CID 75376691

IUPAC2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCCC(c3nc4ccccc4o3)C2)c1
InChIInChI=1S/C18H18N4O2/c19-17(23)12-7-8-20-16(10-12)22-9-3-4-13(11-22)18-21-14-5-1-2-6-15(14)24-18/h1-2,5-8,10,13H,3-4,9,11H2,(H2,19,23)
InChIKeyVQRJAAQXYXVDCN-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.71
Rot. Bonds3

About 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-4-carboxamide

2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-4-carboxamide (PubChem CID 75376691) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-4-carboxamide
PubChem CID75376691
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCCC(c3nc4ccccc4o3)C2)c1
InChIInChI=1S/C18H18N4O2/c19-17(23)12-7-8-20-16(10-12)22-9-3-4-13(11-22)18-21-14-5-1-2-6-15(14)24-18/h1-2,5-8,10,13H,3-4,9,11H2,(H2,19,23)
InChIKeyVQRJAAQXYXVDCN-UHFFFAOYSA-N
XLogP2.71
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-ethylpyridine-4-carboxamide
CID 131907444
2-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]-1,3-benzoxazole
CID 71978149
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 42957516
(2S)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-phenylacetamide
CID 94110566
4-[[(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]propanoyl]amino]benzamide
CID 31986928
2-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide
CID 97115819
[3-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 75131651
2-[(3S)-1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-1,3-benzoxazole
CID 97221250
2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-4-carboxamide
CID 71996494
[4-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 86984028
2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyridine-4-carboxamide
CID 95225385
[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 38317016

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-4-carboxamide (CID 75376691) is 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-4-carboxamide is NC(=O)c1ccnc(N2CCCC(c3nc4ccccc4o3)C2)c1.
What is the InChIKey of 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-4-carboxamide?
The InChIKey is VQRJAAQXYXVDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c19-17(23)12-7-8-20-16(10-12)22-9-3-4-13(11-22)18-21-14-5-1-2-6-15(14)24-18/h1-2,5-8,10,13H,3-4,9,11H2,(H2,19,23).
What are the key properties of 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-4-carboxamide?
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-4-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 75376691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).