4-acetamido-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide

C17H24N4O2 — CID 4924296

IUPAC4-acetamido-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NN=C2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C17H24N4O2/c1-12(2)21-10-8-16(9-11-21)19-20-17(23)14-4-6-15(7-5-14)18-13(3)22/h4-7,12H,8-11H2,1-3H3,(H,18,22)(H,20,23)
InChIKeyKKQJBFYHGQGLGC-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.23
Rot. Bonds4

About 4-acetamido-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide

4-acetamido-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide (PubChem CID 4924296) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-acetamido-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
PubChem CID4924296
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name4-acetamido-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NN=C2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C17H24N4O2/c1-12(2)21-10-8-16(9-11-21)19-20-17(23)14-4-6-15(7-5-14)18-13(3)22/h4-7,12H,8-11H2,1-3H3,(H,18,22)(H,20,23)
InChIKeyKKQJBFYHGQGLGC-UHFFFAOYSA-N
XLogP2.23
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.23
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

4-fluoro-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
CID 5165870
N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
CID 5193391
4-acetamido-N-(cyclohexylideneamino)benzamide
CID 4510356
4-acetamido-N-[[(3R)-3-methylcyclohexylidene]amino]benzamide
CID 910317
N-(cyclopentylideneamino)-4-(propanoylamino)benzamide
CID 910224
4-(butanoylamino)-N-(cyclohexylideneamino)benzamide
CID 913662
4-tert-butyl-N-[(1-methylpiperidin-4-ylidene)amino]benzamide
CID 870970
3-[2-(1-propan-2-ylpiperidin-4-ylidene)hydrazinyl]benzoic acid
CID 5227479
N-(cyclohexylideneamino)-4-(2-cyclohexylidenehydrazinyl)benzamide
CID 5074578
4-acetamido-N-butan-2-ylbenzamide
CID 4540233
N-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110800200
4-(dimethylamino)-N-[(1-ethylpiperidin-4-ylidene)amino]benzamide
CID 19685721

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide?
The IUPAC name of 4-acetamido-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide (CID 4924296) is 4-acetamido-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide.
What is the SMILES notation for 4-acetamido-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide?
The canonical SMILES for 4-acetamido-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide is CC(=O)Nc1ccc(C(=O)NN=C2CCN(C(C)C)CC2)cc1.
What is the InChIKey of 4-acetamido-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide?
The InChIKey is KKQJBFYHGQGLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12(2)21-10-8-16(9-11-21)19-20-17(23)14-4-6-15(7-5-14)18-13(3)22/h4-7,12H,8-11H2,1-3H3,(H,18,22)(H,20,23).
What are the key properties of 4-acetamido-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide?
4-acetamido-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide has a molecular weight of 316.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide is sourced from PubChem (CID 4924296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).