N-[4-(2-acetamidoethoxy)phenyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide

C26H29N5O3 — CID 121071260

IUPACN-[4-(2-acetamidoethoxy)phenyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCC(=O)NCCOc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccccc4)nn3)C2)cc1
InChIInChI=1S/C26H29N5O3/c1-19(32)27-15-17-34-23-11-9-22(10-12-23)28-26(33)21-8-5-16-31(18-21)25-14-13-24(29-30-25)20-6-3-2-4-7-20/h2-4,6-7,9-14,21H,5,8,15-18H2,1H3,(H,27,32)(H,28,33)
InChIKeyGTZZQBXXKDEHRK-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.51
Rot. Bonds8

About N-[4-(2-acetamidoethoxy)phenyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide

N-[4-(2-acetamidoethoxy)phenyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 121071260) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-[4-(2-acetamidoethoxy)phenyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-acetamidoethoxy)phenyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID121071260
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC NameN-[4-(2-acetamidoethoxy)phenyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCC(=O)NCCOc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccccc4)nn3)C2)cc1
InChIInChI=1S/C26H29N5O3/c1-19(32)27-15-17-34-23-11-9-22(10-12-23)28-26(33)21-8-5-16-31(18-21)25-14-13-24(29-30-25)20-6-3-2-4-7-20/h2-4,6-7,9-14,21H,5,8,15-18H2,1H3,(H,27,32)(H,28,33)
InChIKeyGTZZQBXXKDEHRK-UHFFFAOYSA-N
XLogP3.51
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(6-phenylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 30351004
(3S)-N-(3-acetamidophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866093
(3S)-N-(4-chlorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351128
(3S)-1-(6-phenylpyridazin-3-yl)-N-[(4-propoxyphenyl)methyl]piperidine-3-carboxamide
CID 93055655
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxamide
CID 121071116
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-phenylpiperidine-3-carboxamide
CID 53025060
(3S)-N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055834
N-(4-acetamidophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071100
(3R)-N-(4-nitrophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866078
(3R)-1-(6-phenylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 95065158
(3S)-N-(3-acetylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866083
N-(4-ethoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025005

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-acetamidoethoxy)phenyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-[4-(2-acetamidoethoxy)phenyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide (CID 121071260) is N-[4-(2-acetamidoethoxy)phenyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(2-acetamidoethoxy)phenyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[4-(2-acetamidoethoxy)phenyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide is CC(=O)NCCOc1ccc(NC(=O)C2CCCN(c3ccc(-c4ccccc4)nn3)C2)cc1.
What is the InChIKey of N-[4-(2-acetamidoethoxy)phenyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is GTZZQBXXKDEHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-19(32)27-15-17-34-23-11-9-22(10-12-23)28-26(33)21-8-5-16-31(18-21)25-14-13-24(29-30-25)20-6-3-2-4-7-20/h2-4,6-7,9-14,21H,5,8,15-18H2,1H3,(H,27,32)(H,28,33).
What are the key properties of N-[4-(2-acetamidoethoxy)phenyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?
N-[4-(2-acetamidoethoxy)phenyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-acetamidoethoxy)phenyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 121071260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).