phenyl-[4-(pyridin-4-ylmethylideneamino)piperidin-1-yl]methanone

C18H19N3O — CID 134869157

IUPACphenyl-[4-(pyridin-4-ylmethylideneamino)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC(/N=C/c2ccncc2)CC1
InChIInChI=1S/C18H19N3O/c22-18(16-4-2-1-3-5-16)21-12-8-17(9-13-21)20-14-15-6-10-19-11-7-15/h1-7,10-11,14,17H,8-9,12-13H2/b20-14+
InChIKeyKNGINQDXUGJXAK-XSFVSMFZSA-N
MW293.37 g/mol
LogP2.81
Rot. Bonds3

About phenyl-[4-(pyridin-4-ylmethylideneamino)piperidin-1-yl]methanone

phenyl-[4-(pyridin-4-ylmethylideneamino)piperidin-1-yl]methanone (PubChem CID 134869157) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is phenyl-[4-(pyridin-4-ylmethylideneamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-(pyridin-4-ylmethylideneamino)piperidin-1-yl]methanone
PubChem CID134869157
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Namephenyl-[4-(pyridin-4-ylmethylideneamino)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC(/N=C/c2ccncc2)CC1
InChIInChI=1S/C18H19N3O/c22-18(16-4-2-1-3-5-16)21-12-8-17(9-13-21)20-14-15-6-10-19-11-7-15/h1-7,10-11,14,17H,8-9,12-13H2/b20-14+
InChIKeyKNGINQDXUGJXAK-XSFVSMFZSA-N
XLogP2.81
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
[4-(benzenesulfonyl)piperidin-1-yl]-pyridin-4-ylmethanone
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phenyl-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164762
2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79615008
[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638786
4-(pyrimidin-4-ylmethylideneamino)piperidine-1-carboxylic acid
CID 57461715
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]formamide
CID 142457700
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
[4-(2-iodobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 108534189
(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 71944089
2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide
CID 110821194

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(pyridin-4-ylmethylideneamino)piperidin-1-yl]methanone?
The IUPAC name of phenyl-[4-(pyridin-4-ylmethylideneamino)piperidin-1-yl]methanone (CID 134869157) is phenyl-[4-(pyridin-4-ylmethylideneamino)piperidin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-(pyridin-4-ylmethylideneamino)piperidin-1-yl]methanone?
The canonical SMILES for phenyl-[4-(pyridin-4-ylmethylideneamino)piperidin-1-yl]methanone is O=C(c1ccccc1)N1CCC(/N=C/c2ccncc2)CC1.
What is the InChIKey of phenyl-[4-(pyridin-4-ylmethylideneamino)piperidin-1-yl]methanone?
The InChIKey is KNGINQDXUGJXAK-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H19N3O/c22-18(16-4-2-1-3-5-16)21-12-8-17(9-13-21)20-14-15-6-10-19-11-7-15/h1-7,10-11,14,17H,8-9,12-13H2/b20-14+.
What are the key properties of phenyl-[4-(pyridin-4-ylmethylideneamino)piperidin-1-yl]methanone?
phenyl-[4-(pyridin-4-ylmethylideneamino)piperidin-1-yl]methanone has a molecular weight of 293.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(pyridin-4-ylmethylideneamino)piperidin-1-yl]methanone is sourced from PubChem (CID 134869157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).