4-(2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)-N'-(naphthalene-2-carbonyl)piperidine-1-carbohydrazide

C27H26N4O5 — CID 166186885

IUPAC4-(2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)-N'-(naphthalene-2-carbonyl)piperidine-1-carbohydrazide
SMILESCC1Oc2ccc(C(=O)C3CCN(C(=O)NNC(=O)c4ccc5ccccc5c4)CC3)cc2NC1=O
InChIInChI=1S/C27H26N4O5/c1-16-25(33)28-22-15-20(8-9-23(22)36-16)24(32)18-10-12-31(13-11-18)27(35)30-29-26(34)21-7-6-17-4-2-3-5-19(17)14-21/h2-9,14-16,18H,10-13H2,1H3,(H,28,33)(H,29,34)(H,30,35)
InChIKeyKOJHJLNKUXWCQE-UHFFFAOYSA-N
MW486.53 g/mol
LogP3.51
Rot. Bonds3

About 4-(2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)-N'-(naphthalene-2-carbonyl)piperidine-1-carbohydrazide

4-(2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)-N'-(naphthalene-2-carbonyl)piperidine-1-carbohydrazide (PubChem CID 166186885) has the molecular formula C27H26N4O5 and a molecular weight of 486.53 g/mol. Its IUPAC name is 4-(2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)-N'-(naphthalene-2-carbonyl)piperidine-1-carbohydrazide.

Molecular Properties

Compound Name4-(2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)-N'-(naphthalene-2-carbonyl)piperidine-1-carbohydrazide
PubChem CID166186885
Molecular FormulaC27H26N4O5
Molecular Weight486.53 g/mol
Exact Mass486.19
IUPAC Name4-(2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)-N'-(naphthalene-2-carbonyl)piperidine-1-carbohydrazide
SMILESCC1Oc2ccc(C(=O)C3CCN(C(=O)NNC(=O)c4ccc5ccccc5c4)CC3)cc2NC1=O
InChIInChI=1S/C27H26N4O5/c1-16-25(33)28-22-15-20(8-9-23(22)36-16)24(32)18-10-12-31(13-11-18)27(35)30-29-26(34)21-7-6-17-4-2-3-5-19(17)14-21/h2-9,14-16,18H,10-13H2,1H3,(H,28,33)(H,29,34)(H,30,35)
InChIKeyKOJHJLNKUXWCQE-UHFFFAOYSA-N
XLogP3.51
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)-N'-(naphthalene-2-carbonyl)piperidine-1-carbohydrazide?
The IUPAC name of 4-(2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)-N'-(naphthalene-2-carbonyl)piperidine-1-carbohydrazide (CID 166186885) is 4-(2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)-N'-(naphthalene-2-carbonyl)piperidine-1-carbohydrazide.
What is the SMILES notation for 4-(2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)-N'-(naphthalene-2-carbonyl)piperidine-1-carbohydrazide?
The canonical SMILES for 4-(2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)-N'-(naphthalene-2-carbonyl)piperidine-1-carbohydrazide is CC1Oc2ccc(C(=O)C3CCN(C(=O)NNC(=O)c4ccc5ccccc5c4)CC3)cc2NC1=O.
What is the InChIKey of 4-(2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)-N'-(naphthalene-2-carbonyl)piperidine-1-carbohydrazide?
The InChIKey is KOJHJLNKUXWCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O5/c1-16-25(33)28-22-15-20(8-9-23(22)36-16)24(32)18-10-12-31(13-11-18)27(35)30-29-26(34)21-7-6-17-4-2-3-5-19(17)14-21/h2-9,14-16,18H,10-13H2,1H3,(H,28,33)(H,29,34)(H,30,35).
What are the key properties of 4-(2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)-N'-(naphthalene-2-carbonyl)piperidine-1-carbohydrazide?
4-(2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)-N'-(naphthalene-2-carbonyl)piperidine-1-carbohydrazide has a molecular weight of 486.53 g/mol, XLogP of 3.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)-N'-(naphthalene-2-carbonyl)piperidine-1-carbohydrazide is sourced from PubChem (CID 166186885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).