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

C20H22N4O2 — CID 131907444

IUPAC2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-ethylpyridine-4-carboxamide
SMILESCCNC(=O)c1ccnc(N2CCC(c3nc4ccccc4o3)CC2)c1
InChIInChI=1S/C20H22N4O2/c1-2-21-19(25)15-7-10-22-18(13-15)24-11-8-14(9-12-24)20-23-16-5-3-4-6-17(16)26-20/h3-7,10,13-14H,2,8-9,11-12H2,1H3,(H,21,25)
InChIKeyVVTWRFONRMRSBV-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.36
Rot. Bonds4

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

2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-ethylpyridine-4-carboxamide (PubChem CID 131907444) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-ethylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-ethylpyridine-4-carboxamide
PubChem CID131907444
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-ethylpyridine-4-carboxamide
SMILESCCNC(=O)c1ccnc(N2CCC(c3nc4ccccc4o3)CC2)c1
InChIInChI=1S/C20H22N4O2/c1-2-21-19(25)15-7-10-22-18(13-15)24-11-8-14(9-12-24)20-23-16-5-3-4-6-17(16)26-20/h3-7,10,13-14H,2,8-9,11-12H2,1H3,(H,21,25)
InChIKeyVVTWRFONRMRSBV-UHFFFAOYSA-N
XLogP3.36
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-4-carboxamide
CID 75376691
4-(1,3-benzoxazol-2-yl)-N-ethylpiperidine-1-carbothioamide
CID 43815862
4-(1,3-benzoxazol-2-yl)-N-propylpiperidine-1-carboxamide
CID 3761940
2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-ethylpyridine-4-carboxamide
CID 126448160
2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 31986183
2-[6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrazin-2-yl]oxyethanol
CID 91650166
4-(1,3-benzoxazol-2-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide
CID 18532742
N-ethyl-2-[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide
CID 97269555
ethyl 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoacetate
CID 21007968
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-bromobutan-1-one
CID 62856831
4-(1,3-benzoxazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 1429802
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 46663861

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-ethylpyridine-4-carboxamide?
The IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-ethylpyridine-4-carboxamide (CID 131907444) is 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-ethylpyridine-4-carboxamide.
What is the SMILES notation for 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-ethylpyridine-4-carboxamide?
The canonical SMILES for 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-ethylpyridine-4-carboxamide is CCNC(=O)c1ccnc(N2CCC(c3nc4ccccc4o3)CC2)c1.
What is the InChIKey of 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-ethylpyridine-4-carboxamide?
The InChIKey is VVTWRFONRMRSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-2-21-19(25)15-7-10-22-18(13-15)24-11-8-14(9-12-24)20-23-16-5-3-4-6-17(16)26-20/h3-7,10,13-14H,2,8-9,11-12H2,1H3,(H,21,25).
What are the key properties of 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-ethylpyridine-4-carboxamide?
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-ethylpyridine-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-ethylpyridine-4-carboxamide is sourced from PubChem (CID 131907444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).