N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-2-pyridin-2-ylacetamide

C20H24N4O — CID 155674312

IUPACN-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)N/N=C/C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H24N4O/c25-20(14-19-8-4-5-11-21-19)23-22-15-17-9-12-24(13-10-17)16-18-6-2-1-3-7-18/h1-8,11,15,17H,9-10,12-14,16H2,(H,23,25)/b22-15+
InChIKeyVJJQYPJPGQFBSG-PXLXIMEGSA-N
MW336.44 g/mol
LogP2.64
Rot. Bonds6

About N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-2-pyridin-2-ylacetamide

N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-2-pyridin-2-ylacetamide (PubChem CID 155674312) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-2-pyridin-2-ylacetamide
PubChem CID155674312
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)N/N=C/C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H24N4O/c25-20(14-19-8-4-5-11-21-19)23-22-15-17-9-12-24(13-10-17)16-18-6-2-1-3-7-18/h1-8,11,15,17H,9-10,12-14,16H2,(H,23,25)/b22-15+
InChIKeyVJJQYPJPGQFBSG-PXLXIMEGSA-N
XLogP2.64
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-3-methylpyridine-2-carboxamide
CID 155674276
N-[(1-benzylpiperidin-4-yl)methylideneamino]pyridine-3-carboxamide
CID 175105269
1-[[3-[(2-pyridin-2-ylacetyl)amino]phenyl]methyl]piperidine-4-carboxylic acid
CID 118521870
N-[(E)-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methylideneamino]pyridine-2-carboxamide
CID 155674313
N-[(E)-3-(1-benzylpiperidin-4-yl)propylideneamino]pyridine-2-carboxamide
CID 155674228
2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 46488455
1-(1-benzylpiperidin-4-yl)-2-(pyridin-2-ylmethyl)guanidine
CID 119117109
4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 46055500
1-(4-benzylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one
CID 110411945
2-phenyl-N-[pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 110228582
2-phenyl-N-[(S)-pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 92574491
(4-benzylpiperazin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 4551047

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-2-pyridin-2-ylacetamide (CID 155674312) is N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-2-pyridin-2-ylacetamide is O=C(Cc1ccccn1)N/N=C/C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-2-pyridin-2-ylacetamide?
The InChIKey is VJJQYPJPGQFBSG-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H24N4O/c25-20(14-19-8-4-5-11-21-19)23-22-15-17-9-12-24(13-10-17)16-18-6-2-1-3-7-18/h1-8,11,15,17H,9-10,12-14,16H2,(H,23,25)/b22-15+.
What are the key properties of N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-2-pyridin-2-ylacetamide?
N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-2-pyridin-2-ylacetamide has a molecular weight of 336.44 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 155674312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).