5-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide

C24H26N4O3 — CID 155561624

IUPAC5-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
SMILESO=C(Nc1ccnnc1)c1cc(N2CCC(CO)CC2)ccc1OCc1ccccc1
InChIInChI=1S/C24H26N4O3/c29-16-18-9-12-28(13-10-18)21-6-7-23(31-17-19-4-2-1-3-5-19)22(14-21)24(30)27-20-8-11-25-26-15-20/h1-8,11,14-15,18,29H,9-10,12-13,16-17H2,(H,25,27,30)
InChIKeyKEXNTDQOVSKRJI-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.52
Rot. Bonds7

About 5-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide

5-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide (PubChem CID 155561624) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 5-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide.

Molecular Properties

Compound Name5-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
PubChem CID155561624
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name5-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
SMILESO=C(Nc1ccnnc1)c1cc(N2CCC(CO)CC2)ccc1OCc1ccccc1
InChIInChI=1S/C24H26N4O3/c29-16-18-9-12-28(13-10-18)21-6-7-23(31-17-19-4-2-1-3-5-19)22(14-21)24(30)27-20-8-11-25-26-15-20/h1-8,11,14-15,18,29H,9-10,12-13,16-17H2,(H,25,27,30)
InChIKeyKEXNTDQOVSKRJI-UHFFFAOYSA-N
XLogP3.52
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 5-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-tert-butyl-2-[(5-morpholin-4-yl-2-phenylmethoxybenzoyl)amino]-4-phenylbenzoic acid
CID 66990471
N-(5-chloro-2-cyanophenyl)-2-phenylmethoxy-5-piperidin-1-ylbenzamide
CID 66989829
2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]benzoic acid
CID 60990150
2-phenylmethoxy-N-(3-phenylphenyl)-5-pyridin-4-ylbenzamide
CID 141273620
[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol
CID 166113291
tert-butyl (2R)-2-[[4-phenylmethoxy-3-(pyridin-3-ylcarbamoyl)phenoxy]methyl]pyrrolidine-1-carboxylate
CID 86668200
4-benzyl-1-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperidine
CID 130451089
4-[4-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]phenyl]piperazine-1-carboxylic acid
CID 18545453
N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 113015459
N-(6-methoxy-3-pyridinyl)-2-phenylmethoxybenzamide
CID 2344191
5-(4-benzylpiperidin-1-yl)-2-[(2-chlorobenzoyl)amino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146057895
4-morpholin-4-yl-2-phenylmethoxybenzoic acid
CID 139820308

Frequently Asked Questions

What is the IUPAC name of 5-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The IUPAC name of 5-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide (CID 155561624) is 5-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide.
What is the SMILES notation for 5-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The canonical SMILES for 5-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide is O=C(Nc1ccnnc1)c1cc(N2CCC(CO)CC2)ccc1OCc1ccccc1.
What is the InChIKey of 5-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The InChIKey is KEXNTDQOVSKRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c29-16-18-9-12-28(13-10-18)21-6-7-23(31-17-19-4-2-1-3-5-19)22(14-21)24(30)27-20-8-11-25-26-15-20/h1-8,11,14-15,18,29H,9-10,12-13,16-17H2,(H,25,27,30).
What are the key properties of 5-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
5-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide has a molecular weight of 418.50 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide is sourced from PubChem (CID 155561624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).