ethane;[6-(4-methoxyanilino)-5-methyl-3-pyridinyl]-piperidin-1-ylmethanone

C21H29N3O2 — CID 163260959

IUPACethane;[6-(4-methoxyanilino)-5-methyl-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCC.COc1ccc(Nc2ncc(C(=O)N3CCCCC3)cc2C)cc1
InChIInChI=1S/C19H23N3O2.C2H6/c1-14-12-15(19(23)22-10-4-3-5-11-22)13-20-18(14)21-16-6-8-17(24-2)9-7-16;1-2/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,20,21);1-2H3
InChIKeyHMNAZFCEQGKLTB-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.79
Rot. Bonds4

About ethane;[6-(4-methoxyanilino)-5-methyl-3-pyridinyl]-piperidin-1-ylmethanone

ethane;[6-(4-methoxyanilino)-5-methyl-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 163260959) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is ethane;[6-(4-methoxyanilino)-5-methyl-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Nameethane;[6-(4-methoxyanilino)-5-methyl-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID163260959
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Nameethane;[6-(4-methoxyanilino)-5-methyl-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCC.COc1ccc(Nc2ncc(C(=O)N3CCCCC3)cc2C)cc1
InChIInChI=1S/C19H23N3O2.C2H6/c1-14-12-15(19(23)22-10-4-3-5-11-22)13-20-18(14)21-16-6-8-17(24-2)9-7-16;1-2/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,20,21);1-2H3
InChIKeyHMNAZFCEQGKLTB-UHFFFAOYSA-N
XLogP4.79
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methoxyanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249327
[5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226378
[5-chloro-6-(4-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 56584592
1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
CID 1289713
[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 156811184
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 109250762
[2-(3,4-dimethoxyanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109250030
[8-(4-methoxyphenyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
CID 154994822
[5-chloro-6-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56587234
[2-(3,5-dimethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249992
(4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152974

Frequently Asked Questions

What is the IUPAC name of ethane;[6-(4-methoxyanilino)-5-methyl-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of ethane;[6-(4-methoxyanilino)-5-methyl-3-pyridinyl]-piperidin-1-ylmethanone (CID 163260959) is ethane;[6-(4-methoxyanilino)-5-methyl-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for ethane;[6-(4-methoxyanilino)-5-methyl-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for ethane;[6-(4-methoxyanilino)-5-methyl-3-pyridinyl]-piperidin-1-ylmethanone is CC.COc1ccc(Nc2ncc(C(=O)N3CCCCC3)cc2C)cc1.
What is the InChIKey of ethane;[6-(4-methoxyanilino)-5-methyl-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is HMNAZFCEQGKLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.C2H6/c1-14-12-15(19(23)22-10-4-3-5-11-22)13-20-18(14)21-16-6-8-17(24-2)9-7-16;1-2/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,20,21);1-2H3.
What are the key properties of ethane;[6-(4-methoxyanilino)-5-methyl-3-pyridinyl]-piperidin-1-ylmethanone?
ethane;[6-(4-methoxyanilino)-5-methyl-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 355.48 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[6-(4-methoxyanilino)-5-methyl-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 163260959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).