N-[(Z)-(2-methyl-1-phenylpropylidene)amino]-2-piperidin-1-ium-1-ylacetamide

C17H26N3O+ — CID 8022870

IUPACN-[(Z)-(2-methyl-1-phenylpropylidene)amino]-2-piperidin-1-ium-1-ylacetamide
SMILESCC(C)/C(=N/NC(=O)C[NH+]1CCCCC1)c1ccccc1
InChIInChI=1S/C17H25N3O/c1-14(2)17(15-9-5-3-6-10-15)19-18-16(21)13-20-11-7-4-8-12-20/h3,5-6,9-10,14H,4,7-8,11-13H2,1-2H3,(H,18,21)/p+1/b19-17-
InChIKeyUPNZVTXCSKORAJ-ZPHPHTNESA-O
MW288.41 g/mol
LogP1.23
Rot. Bonds5

About N-[(Z)-(2-methyl-1-phenylpropylidene)amino]-2-piperidin-1-ium-1-ylacetamide

N-[(Z)-(2-methyl-1-phenylpropylidene)amino]-2-piperidin-1-ium-1-ylacetamide (PubChem CID 8022870) has the molecular formula C17H26N3O+ and a molecular weight of 288.41 g/mol. Its IUPAC name is N-[(Z)-(2-methyl-1-phenylpropylidene)amino]-2-piperidin-1-ium-1-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-(2-methyl-1-phenylpropylidene)amino]-2-piperidin-1-ium-1-ylacetamide
PubChem CID8022870
Molecular FormulaC17H26N3O+
Molecular Weight288.41 g/mol
Exact Mass288.21
IUPAC NameN-[(Z)-(2-methyl-1-phenylpropylidene)amino]-2-piperidin-1-ium-1-ylacetamide
SMILESCC(C)/C(=N/NC(=O)C[NH+]1CCCCC1)c1ccccc1
InChIInChI=1S/C17H25N3O/c1-14(2)17(15-9-5-3-6-10-15)19-18-16(21)13-20-11-7-4-8-12-20/h3,5-6,9-10,14H,4,7-8,11-13H2,1-2H3,(H,18,21)/p+1/b19-17-
InChIKeyUPNZVTXCSKORAJ-ZPHPHTNESA-O
XLogP1.23
TPSA45.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

[(2-methyl-1-phenylpropylidene)amino]urea
CID 73200660
4-(dimethylamino)-N-[(2-methyl-1-phenylpropylidene)amino]benzamide
CID 3512909
N-[(2-methyl-1-phenylpropylidene)amino]-2-naphthalen-1-yloxyacetamide
CID 3255035
1-phenyl-2-pyrrolidin-1-ium-1-ylethanone bromide
CID 140582432
2-(2,3-dimethylphenoxy)-N-[(E)-(2-methyl-1-phenylpropylidene)amino]acetamide
CID 17343902
N-[(2-methyl-1-phenylpropylidene)amino]pyridine-4-carboxamide
CID 904362
2-(4-butan-2-ylphenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide
CID 4982206
N-(2-acetylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 8894869
2-(azocan-1-ium-1-yl)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 2496912
2-(azocan-1-ium-1-yl)-N-(2-iodophenyl)acetamide
CID 2655331
4-acetamido-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide
CID 5417702
N-[(E)-(2-methyl-1-phenylpropylidene)amino]thiophene-2-carboxamide
CID 6154232

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-methyl-1-phenylpropylidene)amino]-2-piperidin-1-ium-1-ylacetamide?
The IUPAC name of N-[(Z)-(2-methyl-1-phenylpropylidene)amino]-2-piperidin-1-ium-1-ylacetamide (CID 8022870) is N-[(Z)-(2-methyl-1-phenylpropylidene)amino]-2-piperidin-1-ium-1-ylacetamide.
What is the SMILES notation for N-[(Z)-(2-methyl-1-phenylpropylidene)amino]-2-piperidin-1-ium-1-ylacetamide?
The canonical SMILES for N-[(Z)-(2-methyl-1-phenylpropylidene)amino]-2-piperidin-1-ium-1-ylacetamide is CC(C)/C(=N/NC(=O)C[NH+]1CCCCC1)c1ccccc1.
What is the InChIKey of N-[(Z)-(2-methyl-1-phenylpropylidene)amino]-2-piperidin-1-ium-1-ylacetamide?
The InChIKey is UPNZVTXCSKORAJ-ZPHPHTNESA-O. The full InChI is InChI=1S/C17H25N3O/c1-14(2)17(15-9-5-3-6-10-15)19-18-16(21)13-20-11-7-4-8-12-20/h3,5-6,9-10,14H,4,7-8,11-13H2,1-2H3,(H,18,21)/p+1/b19-17-.
What are the key properties of N-[(Z)-(2-methyl-1-phenylpropylidene)amino]-2-piperidin-1-ium-1-ylacetamide?
N-[(Z)-(2-methyl-1-phenylpropylidene)amino]-2-piperidin-1-ium-1-ylacetamide has a molecular weight of 288.41 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-methyl-1-phenylpropylidene)amino]-2-piperidin-1-ium-1-ylacetamide is sourced from PubChem (CID 8022870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).