2-chloro-6-[3-[1-(2-hydroxy-2-phenylacetyl)piperidin-4-yl]propoxy]-N,N-dimethylpyridine-3-carboxamide

C24H30ClN3O4 — CID 134427171

IUPAC2-chloro-6-[3-[1-(2-hydroxy-2-phenylacetyl)piperidin-4-yl]propoxy]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(OCCCC2CCN(C(=O)C(O)c3ccccc3)CC2)nc1Cl
InChIInChI=1S/C24H30ClN3O4/c1-27(2)23(30)19-10-11-20(26-22(19)25)32-16-6-7-17-12-14-28(15-13-17)24(31)21(29)18-8-4-3-5-9-18/h3-5,8-11,17,21,29H,6-7,12-16H2,1-2H3
InChIKeySQGKJBDRWGXFSZ-UHFFFAOYSA-N
MW459.97 g/mol
LogP3.57
Rot. Bonds8

About 2-chloro-6-[3-[1-(2-hydroxy-2-phenylacetyl)piperidin-4-yl]propoxy]-N,N-dimethylpyridine-3-carboxamide

2-chloro-6-[3-[1-(2-hydroxy-2-phenylacetyl)piperidin-4-yl]propoxy]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 134427171) has the molecular formula C24H30ClN3O4 and a molecular weight of 459.97 g/mol. Its IUPAC name is 2-chloro-6-[3-[1-(2-hydroxy-2-phenylacetyl)piperidin-4-yl]propoxy]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-6-[3-[1-(2-hydroxy-2-phenylacetyl)piperidin-4-yl]propoxy]-N,N-dimethylpyridine-3-carboxamide
PubChem CID134427171
Molecular FormulaC24H30ClN3O4
Molecular Weight459.97 g/mol
Exact Mass459.19
IUPAC Name2-chloro-6-[3-[1-(2-hydroxy-2-phenylacetyl)piperidin-4-yl]propoxy]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(OCCCC2CCN(C(=O)C(O)c3ccccc3)CC2)nc1Cl
InChIInChI=1S/C24H30ClN3O4/c1-27(2)23(30)19-10-11-20(26-22(19)25)32-16-6-7-17-12-14-28(15-13-17)24(31)21(29)18-8-4-3-5-9-18/h3-5,8-11,17,21,29H,6-7,12-16H2,1-2H3
InChIKeySQGKJBDRWGXFSZ-UHFFFAOYSA-N
XLogP3.57
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.97
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-6-[3-[1-(2-hydroxy-2-phenylacetyl)piperidin-4-yl]propoxy]-N,N-dimethylpyridine-3-carboxamide 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

2-chloro-N,N-dimethyl-6-(3-piperidin-4-ylpropoxy)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155024291
tert-butyl 2-[3-[[6-chloro-5-(dimethylcarbamoyl)-2-pyridinyl]oxy]propyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 142325154
2-chloro-6-[4-(3-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;ethane
CID 142321263
6-[4-[3-[(2-amino-2-phenylacetyl)-methylamino]propyl]piperidin-1-yl]-2-chloro-N,N-dimethylpyridine-3-carboxamide;fluoroform
CID 142321325
2-chloro-4-[4-[1-[(2R)-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]butoxy]-N,N-dimethylbenzamide
CID 155024329
2-chloro-N,N-dimethyl-4-[4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]butoxy]benzamide
CID 155039598
(2S)-2-hydroxy-1-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-2-phenylethanone
CID 129477697
(2R)-2-hydroxy-1-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-2-phenylethanone
CID 129477695
2-chloro-4-[[1-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-3-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide
CID 166085122
2-chloro-N,N-dimethyl-6-[4-[3-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide
CID 134437316
2-chloro-6-[4-[3-[(2-cyclobutyl-2-hydroxy-2-phenylacetyl)-methylamino]propyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 134437562
2-chloro-N,N-dimethyl-6-[4-[3-[[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide
CID 142321357

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[3-[1-(2-hydroxy-2-phenylacetyl)piperidin-4-yl]propoxy]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-6-[3-[1-(2-hydroxy-2-phenylacetyl)piperidin-4-yl]propoxy]-N,N-dimethylpyridine-3-carboxamide (CID 134427171) is 2-chloro-6-[3-[1-(2-hydroxy-2-phenylacetyl)piperidin-4-yl]propoxy]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-6-[3-[1-(2-hydroxy-2-phenylacetyl)piperidin-4-yl]propoxy]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-6-[3-[1-(2-hydroxy-2-phenylacetyl)piperidin-4-yl]propoxy]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(OCCCC2CCN(C(=O)C(O)c3ccccc3)CC2)nc1Cl.
What is the InChIKey of 2-chloro-6-[3-[1-(2-hydroxy-2-phenylacetyl)piperidin-4-yl]propoxy]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is SQGKJBDRWGXFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O4/c1-27(2)23(30)19-10-11-20(26-22(19)25)32-16-6-7-17-12-14-28(15-13-17)24(31)21(29)18-8-4-3-5-9-18/h3-5,8-11,17,21,29H,6-7,12-16H2,1-2H3.
What are the key properties of 2-chloro-6-[3-[1-(2-hydroxy-2-phenylacetyl)piperidin-4-yl]propoxy]-N,N-dimethylpyridine-3-carboxamide?
2-chloro-6-[3-[1-(2-hydroxy-2-phenylacetyl)piperidin-4-yl]propoxy]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 459.97 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[3-[1-(2-hydroxy-2-phenylacetyl)piperidin-4-yl]propoxy]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 134427171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).