4-[(3-hydroxypiperidin-1-yl)methyl]-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]benzamide

C25H32N4O2 — CID 122452493

IUPAC4-[(3-hydroxypiperidin-1-yl)methyl]-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(N2CCCCC2)cc1)c1ccc(CN2CCCC(O)C2)cc1
InChIInChI=1S/C25H32N4O2/c30-24-5-4-14-28(19-24)18-21-6-10-22(11-7-21)25(31)27-26-17-20-8-12-23(13-9-20)29-15-2-1-3-16-29/h6-13,17,24,30H,1-5,14-16,18-19H2,(H,27,31)/b26-17+
InChIKeyYFNXMXTXMLFSAL-YZSQISJMSA-N
MW420.56 g/mol
LogP3.40
Rot. Bonds6

About 4-[(3-hydroxypiperidin-1-yl)methyl]-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]benzamide

4-[(3-hydroxypiperidin-1-yl)methyl]-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]benzamide (PubChem CID 122452493) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 4-[(3-hydroxypiperidin-1-yl)methyl]-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(3-hydroxypiperidin-1-yl)methyl]-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]benzamide
PubChem CID122452493
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name4-[(3-hydroxypiperidin-1-yl)methyl]-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(N2CCCCC2)cc1)c1ccc(CN2CCCC(O)C2)cc1
InChIInChI=1S/C25H32N4O2/c30-24-5-4-14-28(19-24)18-21-6-10-22(11-7-21)25(31)27-26-17-20-8-12-23(13-9-20)29-15-2-1-3-16-29/h6-13,17,24,30H,1-5,14-16,18-19H2,(H,27,31)/b26-17+
InChIKeyYFNXMXTXMLFSAL-YZSQISJMSA-N
XLogP3.40
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.40
H-Bond Donors ≤ 52
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

N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-4-(piperidin-1-ylmethyl)benzamide
CID 145127992
4-(morpholin-4-ylmethyl)-N-[(Z)-[4-[(Z)-[[4-(morpholin-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 98123916
N-[(4-bromophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 3788046
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 92682170
2-(4-fluorophenyl)-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
CID 126242971
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide
CID 135932618
2-[[3-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-N-[(4-methylphenyl)methylideneamino]-5-piperidin-1-ylbenzamide
CID 66638120
N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 124578501
4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 92662313
(3S)-1-[(4-fluorophenyl)methyl]-N-[(4-piperidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 94021500
N-[(4-ethoxyphenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 3647150
4-(azepan-1-ylmethyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 125044162

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxypiperidin-1-yl)methyl]-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-[(3-hydroxypiperidin-1-yl)methyl]-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]benzamide (CID 122452493) is 4-[(3-hydroxypiperidin-1-yl)methyl]-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[(3-hydroxypiperidin-1-yl)methyl]-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[(3-hydroxypiperidin-1-yl)methyl]-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]benzamide is O=C(N/N=C/c1ccc(N2CCCCC2)cc1)c1ccc(CN2CCCC(O)C2)cc1.
What is the InChIKey of 4-[(3-hydroxypiperidin-1-yl)methyl]-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]benzamide?
The InChIKey is YFNXMXTXMLFSAL-YZSQISJMSA-N. The full InChI is InChI=1S/C25H32N4O2/c30-24-5-4-14-28(19-24)18-21-6-10-22(11-7-21)25(31)27-26-17-20-8-12-23(13-9-20)29-15-2-1-3-16-29/h6-13,17,24,30H,1-5,14-16,18-19H2,(H,27,31)/b26-17+.
What are the key properties of 4-[(3-hydroxypiperidin-1-yl)methyl]-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]benzamide?
4-[(3-hydroxypiperidin-1-yl)methyl]-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]benzamide has a molecular weight of 420.56 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxypiperidin-1-yl)methyl]-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 122452493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).