4-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]-N-(diaminomethylidene)-2,5-dimethylbenzamide

C19H29N5O2 — CID 58269745

IUPAC4-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]-N-(diaminomethylidene)-2,5-dimethylbenzamide
SMILESCc1cc(C2CCN(C(=O)C(C)(C)N)CC2)c(C)cc1C(=O)N=C(N)N
InChIInChI=1S/C19H29N5O2/c1-11-10-15(16(25)23-18(20)21)12(2)9-14(11)13-5-7-24(8-6-13)17(26)19(3,4)22/h9-10,13H,5-8,22H2,1-4H3,(H4,20,21,23,25)
InChIKeyZIURYXFHAPUMDD-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.16
Rot. Bonds3

About 4-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]-N-(diaminomethylidene)-2,5-dimethylbenzamide

4-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]-N-(diaminomethylidene)-2,5-dimethylbenzamide (PubChem CID 58269745) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]-N-(diaminomethylidene)-2,5-dimethylbenzamide.

Molecular Properties

Compound Name4-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]-N-(diaminomethylidene)-2,5-dimethylbenzamide
PubChem CID58269745
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name4-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]-N-(diaminomethylidene)-2,5-dimethylbenzamide
SMILESCc1cc(C2CCN(C(=O)C(C)(C)N)CC2)c(C)cc1C(=O)N=C(N)N
InChIInChI=1S/C19H29N5O2/c1-11-10-15(16(25)23-18(20)21)12(2)9-14(11)13-5-7-24(8-6-13)17(26)19(3,4)22/h9-10,13H,5-8,22H2,1-4H3,(H4,20,21,23,25)
InChIKeyZIURYXFHAPUMDD-UHFFFAOYSA-N
XLogP1.16
TPSA127.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]-N-(diaminomethylidene)-2,5-dimethylbenzamide 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

N-(diaminomethylidene)-2,5-dimethyl-4-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]benzamide
CID 58269553
N-(diaminomethylidene)-4-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]-2,5-dimethylbenzamide
CID 58269549
N-(diaminomethylidene)-4-[1-[(2R)-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]-2-methoxy-5-methylbenzamide
CID 58269641
4-cyclopropyl-N-(diaminomethylidene)-2-methyl-5-methylsulfonylbenzamide
CID 18936996
N-(diaminomethylidene)-4-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-methyl-5-methylsulfonylbenzamide
CID 44609646
N-(diaminomethylidene)-2-methyl-4-[1-[4-(methylamino)benzoyl]piperidin-4-yl]-5-methylsulfonylbenzamide
CID 91506979
N-(diaminomethylidene)-4-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]-2-methyl-5-(trifluoromethyl)benzamide
CID 58269632
N-(diaminomethylidene)-3,5-dimethyl-2,3-dihydro-1-benzothiophene-6-carboxamide
CID 57051185
2-amino-1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one
CID 110460861
4-[4-(diaminomethylidenecarbamoyl)-2-(trifluoromethyl)phenyl]-N,N-dimethylpiperidine-1-carboxamide
CID 58269547
2-fluoro-5-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 171905716
2-amino-2-methyl-1-[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]propan-1-one
CID 95823280

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]-N-(diaminomethylidene)-2,5-dimethylbenzamide?
The IUPAC name of 4-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]-N-(diaminomethylidene)-2,5-dimethylbenzamide (CID 58269745) is 4-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]-N-(diaminomethylidene)-2,5-dimethylbenzamide.
What is the SMILES notation for 4-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]-N-(diaminomethylidene)-2,5-dimethylbenzamide?
The canonical SMILES for 4-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]-N-(diaminomethylidene)-2,5-dimethylbenzamide is Cc1cc(C2CCN(C(=O)C(C)(C)N)CC2)c(C)cc1C(=O)N=C(N)N.
What is the InChIKey of 4-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]-N-(diaminomethylidene)-2,5-dimethylbenzamide?
The InChIKey is ZIURYXFHAPUMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-11-10-15(16(25)23-18(20)21)12(2)9-14(11)13-5-7-24(8-6-13)17(26)19(3,4)22/h9-10,13H,5-8,22H2,1-4H3,(H4,20,21,23,25).
What are the key properties of 4-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]-N-(diaminomethylidene)-2,5-dimethylbenzamide?
4-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]-N-(diaminomethylidene)-2,5-dimethylbenzamide has a molecular weight of 359.47 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]-N-(diaminomethylidene)-2,5-dimethylbenzamide is sourced from PubChem (CID 58269745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).