N-[6-chloro-4-(4-phenoxypiperidin-1-yl)-2-pyridinyl]acetamide

C18H20ClN3O2 — CID 176574634

IUPACN-[6-chloro-4-(4-phenoxypiperidin-1-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(N2CCC(Oc3ccccc3)CC2)cc(Cl)n1
InChIInChI=1S/C18H20ClN3O2/c1-13(23)20-18-12-14(11-17(19)21-18)22-9-7-16(8-10-22)24-15-5-3-2-4-6-15/h2-6,11-12,16H,7-10H2,1H3,(H,20,21,23)
InChIKeyAULTUVWNIXWZEH-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.74
Rot. Bonds4

About N-[6-chloro-4-(4-phenoxypiperidin-1-yl)-2-pyridinyl]acetamide

N-[6-chloro-4-(4-phenoxypiperidin-1-yl)-2-pyridinyl]acetamide (PubChem CID 176574634) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[6-chloro-4-(4-phenoxypiperidin-1-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-chloro-4-(4-phenoxypiperidin-1-yl)-2-pyridinyl]acetamide
PubChem CID176574634
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-[6-chloro-4-(4-phenoxypiperidin-1-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(N2CCC(Oc3ccccc3)CC2)cc(Cl)n1
InChIInChI=1S/C18H20ClN3O2/c1-13(23)20-18-12-14(11-17(19)21-18)22-9-7-16(8-10-22)24-15-5-3-2-4-6-15/h2-6,11-12,16H,7-10H2,1H3,(H,20,21,23)
InChIKeyAULTUVWNIXWZEH-UHFFFAOYSA-N
XLogP3.74
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[6-chloro-4-(4-phenoxypiperidin-1-yl)-2-pyridinyl]acetamide 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

methyl 1-(2,6-dichloro-4-pyridinyl)piperidine-4-carboxylate
CID 87174001
2-[(2-methoxybenzoyl)amino]-5-(4-phenoxypiperidin-1-yl)benzoic acid
CID 146347180
4-chloro-2-(4-phenoxypiperidin-1-yl)pyrimidine
CID 176574621
N-[3-[[6-[4-(4-chlorophenoxy)piperidin-1-yl]-2-propylpyrimidin-4-yl]amino]phenyl]acetamide
CID 166597088
methyl 3-methyl-2-(4-phenoxypiperidin-1-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
CID 135154630
methyl 3-phenoxypyrrolidine-1-carboxylate
CID 58171478
5-(4-phenoxypiperidin-1-yl)pyrazine-2-carboxylic acid
CID 122053440
3-[[6-chloro-4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]amino]piperidine-1-carboxylic acid
CID 156562925
4-phenoxy-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide
CID 167953706
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
3-methyl-2-(4-phenoxypiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-ol
CID 129298894
3-amino-2-methoxy-1-(4-phenoxypiperidin-1-yl)propan-1-one
CID 106111809

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-4-(4-phenoxypiperidin-1-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[6-chloro-4-(4-phenoxypiperidin-1-yl)-2-pyridinyl]acetamide (CID 176574634) is N-[6-chloro-4-(4-phenoxypiperidin-1-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[6-chloro-4-(4-phenoxypiperidin-1-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[6-chloro-4-(4-phenoxypiperidin-1-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(N2CCC(Oc3ccccc3)CC2)cc(Cl)n1.
What is the InChIKey of N-[6-chloro-4-(4-phenoxypiperidin-1-yl)-2-pyridinyl]acetamide?
The InChIKey is AULTUVWNIXWZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-13(23)20-18-12-14(11-17(19)21-18)22-9-7-16(8-10-22)24-15-5-3-2-4-6-15/h2-6,11-12,16H,7-10H2,1H3,(H,20,21,23).
What are the key properties of N-[6-chloro-4-(4-phenoxypiperidin-1-yl)-2-pyridinyl]acetamide?
N-[6-chloro-4-(4-phenoxypiperidin-1-yl)-2-pyridinyl]acetamide has a molecular weight of 345.83 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-4-(4-phenoxypiperidin-1-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 176574634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).