N-(2,5-dimethylphenyl)-3-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]propanamide

C22H29N3O2 — CID 50966390

IUPACN-(2,5-dimethylphenyl)-3-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]propanamide
SMILESCc1ccc(C)c(NC(=O)CCN2CCC(OCc3cccnc3)CC2)c1
InChIInChI=1S/C22H29N3O2/c1-17-5-6-18(2)21(14-17)24-22(26)9-13-25-11-7-20(8-12-25)27-16-19-4-3-10-23-15-19/h3-6,10,14-15,20H,7-9,11-13,16H2,1-2H3,(H,24,26)
InChIKeyTUFRJJONQMWVQO-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.71
Rot. Bonds7

About N-(2,5-dimethylphenyl)-3-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]propanamide

N-(2,5-dimethylphenyl)-3-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]propanamide (PubChem CID 50966390) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]propanamide
PubChem CID50966390
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-(2,5-dimethylphenyl)-3-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]propanamide
SMILESCc1ccc(C)c(NC(=O)CCN2CCC(OCc3cccnc3)CC2)c1
InChIInChI=1S/C22H29N3O2/c1-17-5-6-18(2)21(14-17)24-22(26)9-13-25-11-7-20(8-12-25)27-16-19-4-3-10-23-15-19/h3-6,10,14-15,20H,7-9,11-13,16H2,1-2H3,(H,24,26)
InChIKeyTUFRJJONQMWVQO-UHFFFAOYSA-N
XLogP3.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid
CID 171154390
5-methyl-2-(3-pyridin-3-ylpropanoylamino)benzoic acid
CID 43359065
N-(2-phenoxyphenyl)-3-(4-phenylmethoxypiperidin-1-yl)propanamide
CID 55482829
3-[[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]oxymethyl]pyridine
CID 171909488
3-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 109032554
ethyl 4-[3-(2,5-dimethylanilino)-3-oxopropyl]piperazine-1-carboxylate;oxalic acid
CID 171154401
methyl (2R)-2-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 97192692
3-(2,6-dimethylmorpholin-4-yl)-N-(2,5-dimethylphenyl)propanamide
CID 3236824
N'-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 3114033
(2S)-2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 97200726
3-(4-methylpiperazin-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
CID 90648429
(5-fluoro-2-methylphenyl)-[(3S)-3-(pyridin-3-ylmethoxy)pyrrolidin-1-yl]methanone
CID 96529742

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]propanamide (CID 50966390) is N-(2,5-dimethylphenyl)-3-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]propanamide is Cc1ccc(C)c(NC(=O)CCN2CCC(OCc3cccnc3)CC2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]propanamide?
The InChIKey is TUFRJJONQMWVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17-5-6-18(2)21(14-17)24-22(26)9-13-25-11-7-20(8-12-25)27-16-19-4-3-10-23-15-19/h3-6,10,14-15,20H,7-9,11-13,16H2,1-2H3,(H,24,26).
What are the key properties of N-(2,5-dimethylphenyl)-3-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]propanamide?
N-(2,5-dimethylphenyl)-3-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]propanamide has a molecular weight of 367.49 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]propanamide is sourced from PubChem (CID 50966390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).