1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-phenylpropyl)piperidine-4-carboxamide

C24H29N3O3 — CID 22521237

IUPAC1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-phenylpropyl)piperidine-4-carboxamide
SMILESCC(CNC(=O)C1CCN(C(=O)N2CCOc3ccccc32)CC1)c1ccccc1
InChIInChI=1S/C24H29N3O3/c1-18(19-7-3-2-4-8-19)17-25-23(28)20-11-13-26(14-12-20)24(29)27-15-16-30-22-10-6-5-9-21(22)27/h2-10,18,20H,11-17H2,1H3,(H,25,28)
InChIKeyWQDFMWJWFLYLBS-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.64
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-phenylpropyl)piperidine-4-carboxamide

1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-phenylpropyl)piperidine-4-carboxamide (PubChem CID 22521237) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-phenylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-phenylpropyl)piperidine-4-carboxamide
PubChem CID22521237
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-phenylpropyl)piperidine-4-carboxamide
SMILESCC(CNC(=O)C1CCN(C(=O)N2CCOc3ccccc32)CC1)c1ccccc1
InChIInChI=1S/C24H29N3O3/c1-18(19-7-3-2-4-8-19)17-25-23(28)20-11-13-26(14-12-20)24(29)27-15-16-30-22-10-6-5-9-21(22)27/h2-10,18,20H,11-17H2,1H3,(H,25,28)
InChIKeyWQDFMWJWFLYLBS-UHFFFAOYSA-N
XLogP3.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-phenylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-phenylpropyl)piperidine-4-carboxamide (CID 22521237) is 1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-phenylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-phenylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-phenylpropyl)piperidine-4-carboxamide is CC(CNC(=O)C1CCN(C(=O)N2CCOc3ccccc32)CC1)c1ccccc1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-phenylpropyl)piperidine-4-carboxamide?
The InChIKey is WQDFMWJWFLYLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-18(19-7-3-2-4-8-19)17-25-23(28)20-11-13-26(14-12-20)24(29)27-15-16-30-22-10-6-5-9-21(22)27/h2-10,18,20H,11-17H2,1H3,(H,25,28).
What are the key properties of 1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-phenylpropyl)piperidine-4-carboxamide?
1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-phenylpropyl)piperidine-4-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-phenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 22521237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).