4-acetyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide

C15H21N3O3 — CID 146139776

IUPAC4-acetyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide
SMILESCC(=O)C1CCN(C(=O)Nc2noc3c2CCCC3)CC1
InChIInChI=1S/C15H21N3O3/c1-10(19)11-6-8-18(9-7-11)15(20)16-14-12-4-2-3-5-13(12)21-17-14/h11H,2-9H2,1H3,(H,16,17,20)
InChIKeyHVOYDGAYROSPLB-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.39
Rot. Bonds2

About 4-acetyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide

4-acetyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide (PubChem CID 146139776) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-acetyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide
PubChem CID146139776
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-acetyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide
SMILESCC(=O)C1CCN(C(=O)Nc2noc3c2CCCC3)CC1
InChIInChI=1S/C15H21N3O3/c1-10(19)11-6-8-18(9-7-11)15(20)16-14-12-4-2-3-5-13(12)21-17-14/h11H,2-9H2,1H3,(H,16,17,20)
InChIKeyHVOYDGAYROSPLB-UHFFFAOYSA-N
XLogP2.39
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-acetyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide (CID 146139776) is 4-acetyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-acetyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide is CC(=O)C1CCN(C(=O)Nc2noc3c2CCCC3)CC1.
What is the InChIKey of 4-acetyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide?
The InChIKey is HVOYDGAYROSPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(19)11-6-8-18(9-7-11)15(20)16-14-12-4-2-3-5-13(12)21-17-14/h11H,2-9H2,1H3,(H,16,17,20).
What are the key properties of 4-acetyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide?
4-acetyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 146139776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).