N-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-methoxybenzamide

C26H32N4O4 — CID 78452079

IUPACN-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3n(c2=O)CC2CC3CN(C3CCN(C(C)=O)CC3)C2)cc1
InChIInChI=1S/C26H32N4O4/c1-17(31)28-11-9-21(10-12-28)29-14-18-13-20(16-29)24-8-7-23(26(33)30(24)15-18)27-25(32)19-3-5-22(34-2)6-4-19/h3-8,18,20-21H,9-16H2,1-2H3,(H,27,32)
InChIKeyGFCAXESWBRTQAK-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.54
Rot. Bonds4

About N-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-methoxybenzamide

N-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-methoxybenzamide (PubChem CID 78452079) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-methoxybenzamide
PubChem CID78452079
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC NameN-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3n(c2=O)CC2CC3CN(C3CCN(C(C)=O)CC3)C2)cc1
InChIInChI=1S/C26H32N4O4/c1-17(31)28-11-9-21(10-12-28)29-14-18-13-20(16-29)24-8-7-23(26(33)30(24)15-18)27-25(32)19-3-5-22(34-2)6-4-19/h3-8,18,20-21H,9-16H2,1-2H3,(H,27,32)
InChIKeyGFCAXESWBRTQAK-UHFFFAOYSA-N
XLogP2.54
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,9R)-11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-(dimethylamino)acetamide
CID 162796366
N-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide
CID 78454372
N-[(1R,9S)-11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide
CID 7156288
N-[(1R,9R)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-fluorobenzamide
CID 162808557
N-[(1R,9R)-11-[(4-fluorophenyl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-methoxybenzamide
CID 162801488
N-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]naphthalene-2-carboxamide
CID 85006860
N-[(1R,9R)-11-(4-chlorophenyl)sulfonyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-methoxybenzamide
CID 11884447
(1R,9R)-5-(4-methoxyphenyl)-11-(1-methylpiperidin-4-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 162796427
1-(2-methoxyphenyl)-3-[(1R,9S)-11-(oxan-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]urea
CID 11886479
(1R,9R)-11-(1-acetylpiperidin-4-yl)-5-(furan-2-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 163169343
N-[(1R,9S)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-methoxybenzenesulfonamide
CID 7051360
N-[11-(4-methoxybenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyrazine-2-carboxamide
CID 78452004

Frequently Asked Questions

What is the IUPAC name of N-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-methoxybenzamide?
The IUPAC name of N-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-methoxybenzamide (CID 78452079) is N-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-methoxybenzamide?
The canonical SMILES for N-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc3n(c2=O)CC2CC3CN(C3CCN(C(C)=O)CC3)C2)cc1.
What is the InChIKey of N-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-methoxybenzamide?
The InChIKey is GFCAXESWBRTQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-17(31)28-11-9-21(10-12-28)29-14-18-13-20(16-29)24-8-7-23(26(33)30(24)15-18)27-25(32)19-3-5-22(34-2)6-4-19/h3-8,18,20-21H,9-16H2,1-2H3,(H,27,32).
What are the key properties of N-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-methoxybenzamide?
N-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-methoxybenzamide has a molecular weight of 464.57 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-methoxybenzamide is sourced from PubChem (CID 78452079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).