N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-4-(piperidin-1-ylmethyl)benzamide

C24H30N4O2 — CID 145127992

IUPACN-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-4-(piperidin-1-ylmethyl)benzamide
SMILESO=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C24H30N4O2/c29-24(22-8-4-21(5-9-22)19-27-12-2-1-3-13-27)26-25-18-20-6-10-23(11-7-20)28-14-16-30-17-15-28/h4-11,18H,1-3,12-17,19H2,(H,26,29)/b25-18+
InChIKeyVGTFKWXEQOJRDL-XIEYBQDHSA-N
MW406.53 g/mol
LogP3.27
Rot. Bonds6

About N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-4-(piperidin-1-ylmethyl)benzamide

N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 145127992) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-4-(piperidin-1-ylmethyl)benzamide
PubChem CID145127992
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-4-(piperidin-1-ylmethyl)benzamide
SMILESO=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C24H30N4O2/c29-24(22-8-4-21(5-9-22)19-27-12-2-1-3-13-27)26-25-18-20-6-10-23(11-7-20)28-14-16-30-17-15-28/h4-11,18H,1-3,12-17,19H2,(H,26,29)/b25-18+
InChIKeyVGTFKWXEQOJRDL-XIEYBQDHSA-N
XLogP3.27
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

4-(morpholin-4-ylmethyl)-N-[(Z)-[4-[(Z)-[[4-(morpholin-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 98123916
4-[(3-hydroxypiperidin-1-yl)methyl]-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]benzamide
CID 122452493
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide
CID 135932618
N-[(4-ethoxyphenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 3647150
N-[(4-bromophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 3788046
N-[(4-morpholin-4-ylphenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
CID 2343026
N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 94838624
6-amino-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyridine-3-carboxamide
CID 170647589
3,4,5-triethoxy-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 41082821
4-(morpholin-4-ylmethyl)-N-[(3-nitrophenyl)methylideneamino]benzamide
CID 3665630
4-(morpholin-4-ylmethyl)-N-[(3-phenoxyphenyl)methylideneamino]benzamide
CID 1361849
N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
CID 6072663

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-4-(piperidin-1-ylmethyl)benzamide (CID 145127992) is N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-4-(piperidin-1-ylmethyl)benzamide is O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is VGTFKWXEQOJRDL-XIEYBQDHSA-N. The full InChI is InChI=1S/C24H30N4O2/c29-24(22-8-4-21(5-9-22)19-27-12-2-1-3-13-27)26-25-18-20-6-10-23(11-7-20)28-14-16-30-17-15-28/h4-11,18H,1-3,12-17,19H2,(H,26,29)/b25-18+.
What are the key properties of N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-4-(piperidin-1-ylmethyl)benzamide?
N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 406.53 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 145127992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).