2-[1-[2-[(2-piperidin-1-ylacetyl)amino]phenyl]ethylideneamino]acetic acid

C17H23N3O3 — CID 135012239

IUPAC2-[1-[2-[(2-piperidin-1-ylacetyl)amino]phenyl]ethylideneamino]acetic acid
SMILESC/C(=N\CC(=O)O)c1ccccc1NC(=O)CN1CCCCC1
InChIInChI=1S/C17H23N3O3/c1-13(18-11-17(22)23)14-7-3-4-8-15(14)19-16(21)12-20-9-5-2-6-10-20/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,19,21)(H,22,23)/b18-13+
InChIKeyRDYLWEDZJLFSOF-QGOAFFKASA-N
MW317.39 g/mol
LogP2.00
Rot. Bonds6

About 2-[1-[2-[(2-piperidin-1-ylacetyl)amino]phenyl]ethylideneamino]acetic acid

2-[1-[2-[(2-piperidin-1-ylacetyl)amino]phenyl]ethylideneamino]acetic acid (PubChem CID 135012239) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[1-[2-[(2-piperidin-1-ylacetyl)amino]phenyl]ethylideneamino]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(2-piperidin-1-ylacetyl)amino]phenyl]ethylideneamino]acetic acid
PubChem CID135012239
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-[1-[2-[(2-piperidin-1-ylacetyl)amino]phenyl]ethylideneamino]acetic acid
SMILESC/C(=N\CC(=O)O)c1ccccc1NC(=O)CN1CCCCC1
InChIInChI=1S/C17H23N3O3/c1-13(18-11-17(22)23)14-7-3-4-8-15(14)19-16(21)12-20-9-5-2-6-10-20/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,19,21)(H,22,23)/b18-13+
InChIKeyRDYLWEDZJLFSOF-QGOAFFKASA-N
XLogP2.00
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-[2-[(2-piperidin-1-ylacetyl)amino]phenyl]ethylideneamino]acetic acid 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

methyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 892472
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
1-[2-(2-acetylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119906608
N-(2-acetylphenyl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 8902773
2-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzoic acid
CID 62838706
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylacetamide
CID 1360092
N-(2-acetylphenyl)-2-[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]acetamide
CID 122138586
2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 55511052
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetyl]amino]benzamide
CID 18277431
1-[2-(2-acetylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63031856

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(2-piperidin-1-ylacetyl)amino]phenyl]ethylideneamino]acetic acid?
The IUPAC name of 2-[1-[2-[(2-piperidin-1-ylacetyl)amino]phenyl]ethylideneamino]acetic acid (CID 135012239) is 2-[1-[2-[(2-piperidin-1-ylacetyl)amino]phenyl]ethylideneamino]acetic acid.
What is the SMILES notation for 2-[1-[2-[(2-piperidin-1-ylacetyl)amino]phenyl]ethylideneamino]acetic acid?
The canonical SMILES for 2-[1-[2-[(2-piperidin-1-ylacetyl)amino]phenyl]ethylideneamino]acetic acid is C/C(=N\CC(=O)O)c1ccccc1NC(=O)CN1CCCCC1.
What is the InChIKey of 2-[1-[2-[(2-piperidin-1-ylacetyl)amino]phenyl]ethylideneamino]acetic acid?
The InChIKey is RDYLWEDZJLFSOF-QGOAFFKASA-N. The full InChI is InChI=1S/C17H23N3O3/c1-13(18-11-17(22)23)14-7-3-4-8-15(14)19-16(21)12-20-9-5-2-6-10-20/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,19,21)(H,22,23)/b18-13+.
What are the key properties of 2-[1-[2-[(2-piperidin-1-ylacetyl)amino]phenyl]ethylideneamino]acetic acid?
2-[1-[2-[(2-piperidin-1-ylacetyl)amino]phenyl]ethylideneamino]acetic acid has a molecular weight of 317.39 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(2-piperidin-1-ylacetyl)amino]phenyl]ethylideneamino]acetic acid is sourced from PubChem (CID 135012239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).