N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide

C26H32N4O4 — CID 139269107

IUPACN-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCC1CC(C)C(CNC(=O)c2cc3c(c(-c4ccc(N5CCOCC5)nc4)c2)OCC3)C(=O)N1
InChIInChI=1S/C26H32N4O4/c1-16-11-17(2)29-26(32)22(16)15-28-25(31)20-12-18-5-8-34-24(18)21(13-20)19-3-4-23(27-14-19)30-6-9-33-10-7-30/h3-4,12-14,16-17,22H,5-11,15H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyLRQRHQCLCZARDS-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.41
Rot. Bonds5

About N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide

N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 139269107) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID139269107
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC NameN-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCC1CC(C)C(CNC(=O)c2cc3c(c(-c4ccc(N5CCOCC5)nc4)c2)OCC3)C(=O)N1
InChIInChI=1S/C26H32N4O4/c1-16-11-17(2)29-26(32)22(16)15-28-25(31)20-12-18-5-8-34-24(18)21(13-20)19-3-4-23(27-14-19)30-6-9-33-10-7-30/h3-4,12-14,16-17,22H,5-11,15H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyLRQRHQCLCZARDS-UHFFFAOYSA-N
XLogP2.41
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 139269107) is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide is CC1CC(C)C(CNC(=O)c2cc3c(c(-c4ccc(N5CCOCC5)nc4)c2)OCC3)C(=O)N1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is LRQRHQCLCZARDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-16-11-17(2)29-26(32)22(16)15-28-25(31)20-12-18-5-8-34-24(18)21(13-20)19-3-4-23(27-14-19)30-6-9-33-10-7-30/h3-4,12-14,16-17,22H,5-11,15H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 139269107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).