N-(4-tert-butylpiperidin-1-yl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide

C24H32N4O2 — CID 58600983

IUPACN-(4-tert-butylpiperidin-1-yl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SMILESCc1ccc(N2CCOc3c(C(=O)NN4CCC(C(C)(C)C)CC4)cccc32)nc1
InChIInChI=1S/C24H32N4O2/c1-17-8-9-21(25-16-17)28-14-15-30-22-19(6-5-7-20(22)28)23(29)26-27-12-10-18(11-13-27)24(2,3)4/h5-9,16,18H,10-15H2,1-4H3,(H,26,29)
InChIKeyOVJMTIJHVBHIKK-UHFFFAOYSA-N
MW408.55 g/mol
LogP4.32
Rot. Bonds3

About N-(4-tert-butylpiperidin-1-yl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide

N-(4-tert-butylpiperidin-1-yl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide (PubChem CID 58600983) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-(4-tert-butylpiperidin-1-yl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylpiperidin-1-yl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
PubChem CID58600983
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-(4-tert-butylpiperidin-1-yl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SMILESCc1ccc(N2CCOc3c(C(=O)NN4CCC(C(C)(C)C)CC4)cccc32)nc1
InChIInChI=1S/C24H32N4O2/c1-17-8-9-21(25-16-17)28-14-15-30-22-19(6-5-7-20(22)28)23(29)26-27-12-10-18(11-13-27)24(2,3)4/h5-9,16,18H,10-15H2,1-4H3,(H,26,29)
InChIKeyOVJMTIJHVBHIKK-UHFFFAOYSA-N
XLogP4.32
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylpiperidin-1-yl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The IUPAC name of N-(4-tert-butylpiperidin-1-yl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide (CID 58600983) is N-(4-tert-butylpiperidin-1-yl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for N-(4-tert-butylpiperidin-1-yl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for N-(4-tert-butylpiperidin-1-yl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide is Cc1ccc(N2CCOc3c(C(=O)NN4CCC(C(C)(C)C)CC4)cccc32)nc1.
What is the InChIKey of N-(4-tert-butylpiperidin-1-yl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The InChIKey is OVJMTIJHVBHIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-17-8-9-21(25-16-17)28-14-15-30-22-19(6-5-7-20(22)28)23(29)26-27-12-10-18(11-13-27)24(2,3)4/h5-9,16,18H,10-15H2,1-4H3,(H,26,29).
What are the key properties of N-(4-tert-butylpiperidin-1-yl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
N-(4-tert-butylpiperidin-1-yl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylpiperidin-1-yl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 58600983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).