N-methyl-N-[2-methyl-5-(4-piperidin-1-ylanilino)anilino]formamide

C20H26N4O — CID 167300151

IUPACN-methyl-N-[2-methyl-5-(4-piperidin-1-ylanilino)anilino]formamide
SMILESCc1ccc(Nc2ccc(N3CCCCC3)cc2)cc1NN(C)C=O
InChIInChI=1S/C20H26N4O/c1-16-6-7-18(14-20(16)22-23(2)15-25)21-17-8-10-19(11-9-17)24-12-4-3-5-13-24/h6-11,14-15,21-22H,3-5,12-13H2,1-2H3
InChIKeyOZOOJHYSVUVWGW-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.14
Rot. Bonds6

About N-methyl-N-[2-methyl-5-(4-piperidin-1-ylanilino)anilino]formamide

N-methyl-N-[2-methyl-5-(4-piperidin-1-ylanilino)anilino]formamide (PubChem CID 167300151) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-methyl-N-[2-methyl-5-(4-piperidin-1-ylanilino)anilino]formamide.

Molecular Properties

Compound NameN-methyl-N-[2-methyl-5-(4-piperidin-1-ylanilino)anilino]formamide
PubChem CID167300151
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-methyl-N-[2-methyl-5-(4-piperidin-1-ylanilino)anilino]formamide
SMILESCc1ccc(Nc2ccc(N3CCCCC3)cc2)cc1NN(C)C=O
InChIInChI=1S/C20H26N4O/c1-16-6-7-18(14-20(16)22-23(2)15-25)21-17-8-10-19(11-9-17)24-12-4-3-5-13-24/h6-11,14-15,21-22H,3-5,12-13H2,1-2H3
InChIKeyOZOOJHYSVUVWGW-UHFFFAOYSA-N
XLogP4.14
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 62923074
methyl N-[4-(4-piperidin-1-ylanilino)phenyl]carbamate
CID 112988794
N-[4-(azepan-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 112985765
1-N'-(2,5-dimethylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981349
N-butyl-N-methyl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109217771
2-methyl-6-(4-piperidin-1-ylanilino)-1H-indazol-3-one
CID 167300637
1-[4-(dimethylsulfamoylamino)phenyl]piperidine
CID 110756594
2-(4-pyrrolidin-1-ylanilino)propanoic acid
CID 63179408
N-(3-methylbutyl)-4-piperidin-1-ylaniline
CID 39349482
1-propan-2-yl-3-[4-(4-pyrrolidin-1-ylanilino)phenyl]urea
CID 112988776
N-(3-formamido-4-methylphenyl)-3-pyrrolidin-1-yl-5-(trifluoromethyl)benzamide
CID 130182759
N-[2-(dimethylamino)ethyl]-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109229226

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-methyl-5-(4-piperidin-1-ylanilino)anilino]formamide?
The IUPAC name of N-methyl-N-[2-methyl-5-(4-piperidin-1-ylanilino)anilino]formamide (CID 167300151) is N-methyl-N-[2-methyl-5-(4-piperidin-1-ylanilino)anilino]formamide.
What is the SMILES notation for N-methyl-N-[2-methyl-5-(4-piperidin-1-ylanilino)anilino]formamide?
The canonical SMILES for N-methyl-N-[2-methyl-5-(4-piperidin-1-ylanilino)anilino]formamide is Cc1ccc(Nc2ccc(N3CCCCC3)cc2)cc1NN(C)C=O.
What is the InChIKey of N-methyl-N-[2-methyl-5-(4-piperidin-1-ylanilino)anilino]formamide?
The InChIKey is OZOOJHYSVUVWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-16-6-7-18(14-20(16)22-23(2)15-25)21-17-8-10-19(11-9-17)24-12-4-3-5-13-24/h6-11,14-15,21-22H,3-5,12-13H2,1-2H3.
What are the key properties of N-methyl-N-[2-methyl-5-(4-piperidin-1-ylanilino)anilino]formamide?
N-methyl-N-[2-methyl-5-(4-piperidin-1-ylanilino)anilino]formamide has a molecular weight of 338.46 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-methyl-5-(4-piperidin-1-ylanilino)anilino]formamide is sourced from PubChem (CID 167300151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).