N-[(1-methylpiperidin-4-ylidene)amino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide

C25H24N4O2 — CID 4199960

IUPACN-[(1-methylpiperidin-4-ylidene)amino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
SMILESCN1CCC(=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)CC1
InChIInChI=1S/C25H24N4O2/c1-28-14-12-20(13-15-28)26-27-24(30)19-10-8-17(9-11-19)16-29-22-7-3-5-18-4-2-6-21(23(18)22)25(29)31/h2-11H,12-16H2,1H3,(H,27,30)
InChIKeyWUVXOYWGNWJYTR-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.81
Rot. Bonds4

About N-[(1-methylpiperidin-4-ylidene)amino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide

N-[(1-methylpiperidin-4-ylidene)amino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide (PubChem CID 4199960) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-ylidene)amino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-ylidene)amino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
PubChem CID4199960
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-[(1-methylpiperidin-4-ylidene)amino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
SMILESCN1CCC(=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)CC1
InChIInChI=1S/C25H24N4O2/c1-28-14-12-20(13-15-28)26-27-24(30)19-10-8-17(9-11-19)16-29-22-7-3-5-18-4-2-6-21(23(18)22)25(29)31/h2-11H,12-16H2,1H3,(H,27,30)
InChIKeyWUVXOYWGNWJYTR-UHFFFAOYSA-N
XLogP3.81
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-ylidene)amino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide?
The IUPAC name of N-[(1-methylpiperidin-4-ylidene)amino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide (CID 4199960) is N-[(1-methylpiperidin-4-ylidene)amino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(1-methylpiperidin-4-ylidene)amino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide?
The canonical SMILES for N-[(1-methylpiperidin-4-ylidene)amino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide is CN1CCC(=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-ylidene)amino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide?
The InChIKey is WUVXOYWGNWJYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-28-14-12-20(13-15-28)26-27-24(30)19-10-8-17(9-11-19)16-29-22-7-3-5-18-4-2-6-21(23(18)22)25(29)31/h2-11H,12-16H2,1H3,(H,27,30).
What are the key properties of N-[(1-methylpiperidin-4-ylidene)amino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide?
N-[(1-methylpiperidin-4-ylidene)amino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide has a molecular weight of 412.49 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-ylidene)amino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide is sourced from PubChem (CID 4199960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).