4-(1,3-benzoxazol-2-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide

C21H23N3O3 — CID 1429838

IUPAC4-(1,3-benzoxazol-2-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C21H23N3O3/c1-2-26-17-9-7-16(8-10-17)22-21(25)24-13-11-15(12-14-24)20-23-18-5-3-4-6-19(18)27-20/h3-10,15H,2,11-14H2,1H3,(H,22,25)
InChIKeyMEBXDOBRXVABEL-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.64
Rot. Bonds4

About 4-(1,3-benzoxazol-2-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide

4-(1,3-benzoxazol-2-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide (PubChem CID 1429838) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide
PubChem CID1429838
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name4-(1,3-benzoxazol-2-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C21H23N3O3/c1-2-26-17-9-7-16(8-10-17)22-21(25)24-13-11-15(12-14-24)20-23-18-5-3-4-6-19(18)27-20/h3-10,15H,2,11-14H2,1H3,(H,22,25)
InChIKeyMEBXDOBRXVABEL-UHFFFAOYSA-N
XLogP4.64
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

L 696229
CID 72352
BI 99179
CID 51346964
2-(Piperazin-1-yl)-1,3-benzoxazole
CID 647818
3,3'-Diethyloxacarbocyanine iodide
CID 6538326
3,3'-Diethyloxadicarbocyanine iodide
CID 5702692
L 696040
CID 131887
N~2~-1,3-Benzoxazol-2-YL-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-L-alaninamide
CID 6420159
2(1H)-Pyridinone, 5-ethyl-3-(((4-fluoro-2-benzoxazolyl)methyl)amino)-6-methyl-
CID 454408
2(1H)-Pyridinone, 5-ethyl-3-(((7-fluoro-2-benzoxazolyl)methyl)amino)-6-methyl-
CID 454411
3-(1,3-benzoxazol-2-ylmethylamino)-5-ethyl-4,6-dimethyl-1H-pyridin-2-one
CID 454434
(1-{2-[4-(Benzooxazol-2-yloxy)-phenoxy]ethyl}-piperidin-4-yl)-methanol
CID 11210848
Benzoxazole,2-[4-[2-(1-piperidinyl)ethoxy]phenoxy]-
CID 11739248

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide (CID 1429838) is 4-(1,3-benzoxazol-2-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1,3-benzoxazol-2-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1,3-benzoxazol-2-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide is CCOc1ccc(NC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1.
What is the InChIKey of 4-(1,3-benzoxazol-2-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide?
The InChIKey is MEBXDOBRXVABEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-2-26-17-9-7-16(8-10-17)22-21(25)24-13-11-15(12-14-24)20-23-18-5-3-4-6-19(18)27-20/h3-10,15H,2,11-14H2,1H3,(H,22,25).
What are the key properties of 4-(1,3-benzoxazol-2-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide?
4-(1,3-benzoxazol-2-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 1429838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).