4-(dimethylamino)-N-[(1-ethylpiperidin-4-ylidene)amino]benzamide

C16H24N4O — CID 19685721

IUPAC4-(dimethylamino)-N-[(1-ethylpiperidin-4-ylidene)amino]benzamide
SMILESCCN1CCC(=NNC(=O)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C16H24N4O/c1-4-20-11-9-14(10-12-20)17-18-16(21)13-5-7-15(8-6-13)19(2)3/h5-8H,4,9-12H2,1-3H3,(H,18,21)
InChIKeyQZEDAGKJVCOIJX-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.95
Rot. Bonds4

About 4-(dimethylamino)-N-[(1-ethylpiperidin-4-ylidene)amino]benzamide

4-(dimethylamino)-N-[(1-ethylpiperidin-4-ylidene)amino]benzamide (PubChem CID 19685721) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(1-ethylpiperidin-4-ylidene)amino]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(1-ethylpiperidin-4-ylidene)amino]benzamide
PubChem CID19685721
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name4-(dimethylamino)-N-[(1-ethylpiperidin-4-ylidene)amino]benzamide
SMILESCCN1CCC(=NNC(=O)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C16H24N4O/c1-4-20-11-9-14(10-12-20)17-18-16(21)13-5-7-15(8-6-13)19(2)3/h5-8H,4,9-12H2,1-3H3,(H,18,21)
InChIKeyQZEDAGKJVCOIJX-UHFFFAOYSA-N
XLogP1.95
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.95
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-(cyclohexylideneamino)-4-(diethylamino)benzamide
CID 7929020
N-[(1-ethylpiperidin-4-ylidene)amino]-2-methylfuran-3-carboxamide
CID 3642312
N-[(1-benzylpiperidin-4-ylidene)amino]benzamide
CID 746769
4-tert-butyl-N-[(1-methylpiperidin-4-ylidene)amino]benzamide
CID 870970
N-[(1-ethylpiperidin-4-ylidene)amino]-1-benzothiophene-3-carboxamide
CID 4155439
N-(cyclododecylideneamino)-4-[methyl(methylsulfonyl)amino]benzamide
CID 126122432
4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-[(1-methylpiperidin-4-ylidene)amino]benzamide
CID 126134361
4-fluoro-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
CID 5165870
4-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide
CID 36565155
2-[[4-(dimethylamino)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3516740
ethyl 4-(pyridine-4-carbonylhydrazinylidene)piperidine-1-carboxylate
CID 5236956
N-[4-(dimethylamino)phenyl]-4-ethylpiperazine-1-carboxamide
CID 108894833

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(1-ethylpiperidin-4-ylidene)amino]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[(1-ethylpiperidin-4-ylidene)amino]benzamide (CID 19685721) is 4-(dimethylamino)-N-[(1-ethylpiperidin-4-ylidene)amino]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(1-ethylpiperidin-4-ylidene)amino]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[(1-ethylpiperidin-4-ylidene)amino]benzamide is CCN1CCC(=NNC(=O)c2ccc(N(C)C)cc2)CC1.
What is the InChIKey of 4-(dimethylamino)-N-[(1-ethylpiperidin-4-ylidene)amino]benzamide?
The InChIKey is QZEDAGKJVCOIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-20-11-9-14(10-12-20)17-18-16(21)13-5-7-15(8-6-13)19(2)3/h5-8H,4,9-12H2,1-3H3,(H,18,21).
What are the key properties of 4-(dimethylamino)-N-[(1-ethylpiperidin-4-ylidene)amino]benzamide?
4-(dimethylamino)-N-[(1-ethylpiperidin-4-ylidene)amino]benzamide has a molecular weight of 288.40 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(1-ethylpiperidin-4-ylidene)amino]benzamide is sourced from PubChem (CID 19685721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).