1-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxamide

C21H25N3O3 — CID 39717853

IUPAC1-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxamide
SMILESCc1cc(C(=O)N2CCC(C(N)=O)CC2)cc(C)c1OCc1cccnc1
InChIInChI=1S/C21H25N3O3/c1-14-10-18(21(26)24-8-5-17(6-9-24)20(22)25)11-15(2)19(14)27-13-16-4-3-7-23-12-16/h3-4,7,10-12,17H,5-6,8-9,13H2,1-2H3,(H2,22,25)
InChIKeySMUQWIIGYMTUNU-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.61
Rot. Bonds5

About 1-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxamide

1-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxamide (PubChem CID 39717853) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxamide
PubChem CID39717853
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxamide
SMILESCc1cc(C(=O)N2CCC(C(N)=O)CC2)cc(C)c1OCc1cccnc1
InChIInChI=1S/C21H25N3O3/c1-14-10-18(21(26)24-8-5-17(6-9-24)20(22)25)11-15(2)19(14)27-13-16-4-3-7-23-12-16/h3-4,7,10-12,17H,5-6,8-9,13H2,1-2H3,(H2,22,25)
InChIKeySMUQWIIGYMTUNU-UHFFFAOYSA-N
XLogP2.61
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112823978
4-[[4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]methyl]benzamide
CID 112827508
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124696407
[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124620670
1-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperidine-2-carboxylic acid
CID 102553984
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55699320
2-[4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 52588754
1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxylic acid
CID 119349727
N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]morpholine-3-carboxylic acid
CID 120521755
[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 71895409
(4-aminopiperidin-1-yl)-[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119374059

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxamide (CID 39717853) is 1-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxamide is Cc1cc(C(=O)N2CCC(C(N)=O)CC2)cc(C)c1OCc1cccnc1.
What is the InChIKey of 1-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxamide?
The InChIKey is SMUQWIIGYMTUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14-10-18(21(26)24-8-5-17(6-9-24)20(22)25)11-15(2)19(14)27-13-16-4-3-7-23-12-16/h3-4,7,10-12,17H,5-6,8-9,13H2,1-2H3,(H2,22,25).
What are the key properties of 1-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxamide?
1-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 39717853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).