[3-(4-methoxyanilino)piperidin-1-yl]-pyridin-3-ylmethanone

C18H21N3O2 — CID 24793000

IUPAC[3-(4-methoxyanilino)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCOc1ccc(NC2CCCN(C(=O)c3cccnc3)C2)cc1
InChIInChI=1S/C18H21N3O2/c1-23-17-8-6-15(7-9-17)20-16-5-3-11-21(13-16)18(22)14-4-2-10-19-12-14/h2,4,6-10,12,16,20H,3,5,11,13H2,1H3
InChIKeyIUUGNMKLPNBGFF-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.81
Rot. Bonds4

About [3-(4-methoxyanilino)piperidin-1-yl]-pyridin-3-ylmethanone

[3-(4-methoxyanilino)piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 24793000) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is [3-(4-methoxyanilino)piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-(4-methoxyanilino)piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID24793000
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name[3-(4-methoxyanilino)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCOc1ccc(NC2CCCN(C(=O)c3cccnc3)C2)cc1
InChIInChI=1S/C18H21N3O2/c1-23-17-8-6-15(7-9-17)20-16-5-3-11-21(13-16)18(22)14-4-2-10-19-12-14/h2,4,6-10,12,16,20H,3,5,11,13H2,1H3
InChIKeyIUUGNMKLPNBGFF-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-2-carboxamide
CID 45560410
N-(4-phenoxyphenyl)-2-((pyridin-4-ylmethyl)amino)nicotinamide
CID 16040289
N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 59743926
6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{N}-pyridin-3-yl-pyridine-3-carboxamide
CID 89650975
2-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propylamino)-N,N-dimethylnicotinamide
CID 9865577
N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-phenoxypyridine-3-carboxamide
CID 9870203
9P7ZX5Bwv8
CID 9904911
2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10499343
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10787790
6-Chloro-n-((r)-3-{4-[(4-methoxy-phenyl)-(4-methyl-pyridin-3-ylmethyl)-amino]-piperidin-1-yl}-butyl)-2,4-dimethyl-nicotinamide
CID 15947119
(4-Cyclobutyl-1,4-diazepan-1-yl)(6-phenoxypyridin-3-yl)methanone
CID 24771416

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyanilino)piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [3-(4-methoxyanilino)piperidin-1-yl]-pyridin-3-ylmethanone (CID 24793000) is [3-(4-methoxyanilino)piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-(4-methoxyanilino)piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-(4-methoxyanilino)piperidin-1-yl]-pyridin-3-ylmethanone is COc1ccc(NC2CCCN(C(=O)c3cccnc3)C2)cc1.
What is the InChIKey of [3-(4-methoxyanilino)piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is IUUGNMKLPNBGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-23-17-8-6-15(7-9-17)20-16-5-3-11-21(13-16)18(22)14-4-2-10-19-12-14/h2,4,6-10,12,16,20H,3,5,11,13H2,1H3.
What are the key properties of [3-(4-methoxyanilino)piperidin-1-yl]-pyridin-3-ylmethanone?
[3-(4-methoxyanilino)piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 311.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyanilino)piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 24793000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).