N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methylpropoxy)pyridine-3-carboxamide

C22H29N3O3 — CID 138996085

IUPACN-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methylpropoxy)pyridine-3-carboxamide
SMILESCOc1cccc(N2CCC(NC(=O)c3cccnc3OCC(C)C)CC2)c1
InChIInChI=1S/C22H29N3O3/c1-16(2)15-28-22-20(8-5-11-23-22)21(26)24-17-9-12-25(13-10-17)18-6-4-7-19(14-18)27-3/h4-8,11,14,16-17H,9-10,12-13,15H2,1-3H3,(H,24,26)
InChIKeyCCIXYMVKEKFWMQ-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.52
Rot. Bonds7

About N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methylpropoxy)pyridine-3-carboxamide

N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methylpropoxy)pyridine-3-carboxamide (PubChem CID 138996085) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methylpropoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methylpropoxy)pyridine-3-carboxamide
PubChem CID138996085
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methylpropoxy)pyridine-3-carboxamide
SMILESCOc1cccc(N2CCC(NC(=O)c3cccnc3OCC(C)C)CC2)c1
InChIInChI=1S/C22H29N3O3/c1-16(2)15-28-22-20(8-5-11-23-22)21(26)24-17-9-12-25(13-10-17)18-6-4-7-19(14-18)27-3/h4-8,11,14,16-17H,9-10,12-13,15H2,1-3H3,(H,24,26)
InChIKeyCCIXYMVKEKFWMQ-UHFFFAOYSA-N
XLogP3.52
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methoxyethoxy)pyridine-3-carboxamide
CID 49072325
ethyl 4-[(2-methoxypyridine-3-carbonyl)amino]azepane-1-carboxylate
CID 59150729
N-(1-propan-2-ylpiperidin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 47024234
tert-butyl 4-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 47072487
6-fluoro-N-[1-(3-methoxyphenyl)piperidin-3-yl]quinoline-8-carboxamide
CID 167744210
1-(3-methoxyphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]piperidin-4-amine
CID 131892843
N-(1-methylpiperidin-4-yl)-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 91571975
N-cyclopentyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6467557
N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-methoxypyridine-3-carboxamide
CID 166190921
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenoxypyridine-3-carboxamide
CID 55745402
N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6468252
[4-(3-methoxyphenyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 31911957

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methylpropoxy)pyridine-3-carboxamide?
The IUPAC name of N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methylpropoxy)pyridine-3-carboxamide (CID 138996085) is N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methylpropoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methylpropoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methylpropoxy)pyridine-3-carboxamide is COc1cccc(N2CCC(NC(=O)c3cccnc3OCC(C)C)CC2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methylpropoxy)pyridine-3-carboxamide?
The InChIKey is CCIXYMVKEKFWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-16(2)15-28-22-20(8-5-11-23-22)21(26)24-17-9-12-25(13-10-17)18-6-4-7-19(14-18)27-3/h4-8,11,14,16-17H,9-10,12-13,15H2,1-3H3,(H,24,26).
What are the key properties of N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methylpropoxy)pyridine-3-carboxamide?
N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methylpropoxy)pyridine-3-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methylpropoxy)pyridine-3-carboxamide is sourced from PubChem (CID 138996085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).