[5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone

C18H21N3O2 — CID 109226378

IUPAC[5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCOc1ccc(Nc2cncc(C(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C18H21N3O2/c1-23-17-7-5-15(6-8-17)20-16-11-14(12-19-13-16)18(22)21-9-3-2-4-10-21/h5-8,11-13,20H,2-4,9-10H2,1H3
InChIKeyRNGCDJUYZZCGHT-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.46
Rot. Bonds4

About [5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone

[5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 109226378) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is [5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID109226378
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name[5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCOc1ccc(Nc2cncc(C(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C18H21N3O2/c1-23-17-7-5-15(6-8-17)20-16-11-14(12-19-13-16)18(22)21-9-3-2-4-10-21/h5-8,11-13,20H,2-4,9-10H2,1H3
InChIKeyRNGCDJUYZZCGHT-UHFFFAOYSA-N
XLogP3.46
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109225638
piperidin-1-yl-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]methanone
CID 109226421
5-(4-methoxyanilino)pyridine-3-carboxylic acid
CID 82535078
4-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109241313
[5-(3,4-dichloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226426
ethane;[6-(4-methoxyanilino)-5-methyl-3-pyridinyl]-piperidin-1-ylmethanone
CID 163260959
[2-(4-methoxyanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249327
[5-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226403
[5-(3-chloro-4-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225614
[5-(3,4-difluoroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225687
5-(azepane-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109106436
[5-(2-methoxy-5-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225626

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone (CID 109226378) is [5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone is COc1ccc(Nc2cncc(C(=O)N3CCCCC3)c2)cc1.
What is the InChIKey of [5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is RNGCDJUYZZCGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-23-17-7-5-15(6-8-17)20-16-11-14(12-19-13-16)18(22)21-9-3-2-4-10-21/h5-8,11-13,20H,2-4,9-10H2,1H3.
What are the key properties of [5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone?
[5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 311.39 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109226378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).