N-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide

C15H21N3O — CID 682337

IUPACN-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide
SMILESCc1ccc(C=NNC(=O)CN2CCCCC2)cc1
InChIInChI=1S/C15H21N3O/c1-13-5-7-14(8-6-13)11-16-17-15(19)12-18-9-3-2-4-10-18/h5-8,11H,2-4,9-10,12H2,1H3,(H,17,19)
InChIKeyJXKBSEKYXTUDRB-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.93
Rot. Bonds4

About N-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide

N-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide (PubChem CID 682337) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide
PubChem CID682337
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide
SMILESCc1ccc(C=NNC(=O)CN2CCCCC2)cc1
InChIInChI=1S/C15H21N3O/c1-13-5-7-14(8-6-13)11-16-17-15(19)12-18-9-3-2-4-10-18/h5-8,11H,2-4,9-10,12H2,1H3,(H,17,19)
InChIKeyJXKBSEKYXTUDRB-UHFFFAOYSA-N
XLogP1.93
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(azocan-1-yl)acetamide
CID 5407176
2-(azepan-1-yl)-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 786204
2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 786188
2-(azocan-1-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
CID 6894538
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide
CID 6885049
N-[(4-tert-butylphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 1390261
2-(azepan-1-yl)-N-[(3-bromophenyl)methylideneamino]acetamide
CID 791925
N-[(Z)-(4-methylphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide
CID 5407042
N-(benzylideneamino)-2-(4-ethylpiperazin-1-yl)acetamide
CID 791586
N-[(5-chlorofuran-2-yl)methylideneamino]-2-piperidin-1-ylacetamide
CID 131878401
2-(azocan-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 5331773
2-piperidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 23723072

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide (CID 682337) is N-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide is Cc1ccc(C=NNC(=O)CN2CCCCC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide?
The InChIKey is JXKBSEKYXTUDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-13-5-7-14(8-6-13)11-16-17-15(19)12-18-9-3-2-4-10-18/h5-8,11H,2-4,9-10,12H2,1H3,(H,17,19).
What are the key properties of N-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide?
N-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide has a molecular weight of 259.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 682337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).