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

C20H21N3O3 — CID 1429829

IUPAC4-(1,3-benzoxazol-2-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C20H21N3O3/c1-25-17-8-4-2-6-15(17)22-20(24)23-12-10-14(11-13-23)19-21-16-7-3-5-9-18(16)26-19/h2-9,14H,10-13H2,1H3,(H,22,24)
InChIKeyQFIGQDYCDJATMC-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.25
Rot. Bonds3

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

4-(1,3-benzoxazol-2-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 1429829) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide
PubChem CID1429829
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-(1,3-benzoxazol-2-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C20H21N3O3/c1-25-17-8-4-2-6-15(17)22-20(24)23-12-10-14(11-13-23)19-21-16-7-3-5-9-18(16)26-19/h2-9,14H,10-13H2,1H3,(H,22,24)
InChIKeyQFIGQDYCDJATMC-UHFFFAOYSA-N
XLogP4.25
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide (CID 1429829) is 4-(1,3-benzoxazol-2-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1,3-benzoxazol-2-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1,3-benzoxazol-2-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide is COc1ccccc1NC(=O)N1CCC(c2nc3ccccc3o2)CC1.
What is the InChIKey of 4-(1,3-benzoxazol-2-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is QFIGQDYCDJATMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-25-17-8-4-2-6-15(17)22-20(24)23-12-10-14(11-13-23)19-21-16-7-3-5-9-18(16)26-19/h2-9,14H,10-13H2,1H3,(H,22,24).
What are the key properties of 4-(1,3-benzoxazol-2-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide?
4-(1,3-benzoxazol-2-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 4.25, 3 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-(2-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 1429829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).