N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(4-cyanophenoxy)acetamide

C21H23N4O2+ — CID 9316593

IUPACN-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(4-cyanophenoxy)acetamide
SMILESN#Cc1ccc(OCC(=O)NN=C2CC[NH+](Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H22N4O2/c22-14-17-6-8-20(9-7-17)27-16-21(26)24-23-19-10-12-25(13-11-19)15-18-4-2-1-3-5-18/h1-9H,10-13,15-16H2,(H,24,26)/p+1
InChIKeyWGQMEGDECBDDOE-UHFFFAOYSA-O
MW363.44 g/mol
LogP1.29
Rot. Bonds6

About N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(4-cyanophenoxy)acetamide

N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(4-cyanophenoxy)acetamide (PubChem CID 9316593) has the molecular formula C21H23N4O2+ and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(4-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(4-cyanophenoxy)acetamide
PubChem CID9316593
Molecular FormulaC21H23N4O2+
Molecular Weight363.44 g/mol
Exact Mass363.18
IUPAC NameN-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(4-cyanophenoxy)acetamide
SMILESN#Cc1ccc(OCC(=O)NN=C2CC[NH+](Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H22N4O2/c22-14-17-6-8-20(9-7-17)27-16-21(26)24-23-19-10-12-25(13-11-19)15-18-4-2-1-3-5-18/h1-9H,10-13,15-16H2,(H,24,26)/p+1
InChIKeyWGQMEGDECBDDOE-UHFFFAOYSA-O
XLogP1.29
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.29
H-Bond Donors ≤ 52
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-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(4-tert-butylphenoxy)acetamide
CID 7800597
N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(2-cyanophenoxy)acetamide
CID 9467674
N-(cyclohexylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
CID 29154497
2-(4-cyanophenoxy)-N-(fluoren-9-ylideneamino)acetamide
CID 9316575
N-(cyclopentylideneamino)-2-(4-phenylphenoxy)acetamide
CID 4562068
2-(4-cyanophenoxy)-N-[(Z)-1-(furan-2-yl)ethylideneamino]acetamide
CID 6378395
2-(4-cyanophenoxy)-N-[(Z)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]acetamide
CID 9316535
N-(benzylcarbamoyl)-2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9118126
N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-4-ethoxybenzenesulfonamide
CID 9078378
2-(4-cyanophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 3593728
N-(2-benzylphenyl)-2-(4-cyanophenoxy)acetamide
CID 7503196
2-(4-cyanophenoxy)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 2392759

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(4-cyanophenoxy)acetamide?
The IUPAC name of N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(4-cyanophenoxy)acetamide (CID 9316593) is N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(4-cyanophenoxy)acetamide.
What is the SMILES notation for N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(4-cyanophenoxy)acetamide?
The canonical SMILES for N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(4-cyanophenoxy)acetamide is N#Cc1ccc(OCC(=O)NN=C2CC[NH+](Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(4-cyanophenoxy)acetamide?
The InChIKey is WGQMEGDECBDDOE-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H22N4O2/c22-14-17-6-8-20(9-7-17)27-16-21(26)24-23-19-10-12-25(13-11-19)15-18-4-2-1-3-5-18/h1-9H,10-13,15-16H2,(H,24,26)/p+1.
What are the key properties of N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(4-cyanophenoxy)acetamide?
N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(4-cyanophenoxy)acetamide has a molecular weight of 363.44 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(4-cyanophenoxy)acetamide is sourced from PubChem (CID 9316593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).