3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-3-phenylpropanamide

C22H30N4O — CID 119871542

IUPAC3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-3-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1NC1CCN(C)CC1)C(N)c1ccccc1
InChIInChI=1S/C22H30N4O/c1-16(21(23)17-8-4-3-5-9-17)22(27)25-20-11-7-6-10-19(20)24-18-12-14-26(2)15-13-18/h3-11,16,18,21,24H,12-15,23H2,1-2H3,(H,25,27)
InChIKeyNEKRLOBZYJXFNF-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.47
Rot. Bonds6

About 3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-3-phenylpropanamide

3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-3-phenylpropanamide (PubChem CID 119871542) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-3-phenylpropanamide
PubChem CID119871542
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-3-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1NC1CCN(C)CC1)C(N)c1ccccc1
InChIInChI=1S/C22H30N4O/c1-16(21(23)17-8-4-3-5-9-17)22(27)25-20-11-7-6-10-19(20)24-18-12-14-26(2)15-13-18/h3-11,16,18,21,24H,12-15,23H2,1-2H3,(H,25,27)
InChIKeyNEKRLOBZYJXFNF-UHFFFAOYSA-N
XLogP3.47
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide;dihydrochloride
CID 120503561
3-amino-2-methyl-N-(2-methylsulfanylphenyl)-3-phenylpropanamide
CID 80546722
3-amino-N-(1,2-dimethylpiperidin-4-yl)-2-methyl-3-phenylpropanamide
CID 81494459
3-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 119755729
2-(4-aminophenyl)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide
CID 119871528
3-amino-2-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119760322
trans-(1S,2S)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 95325918
4-amino-3-methoxy-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide
CID 120596280
3-amino-2-methyl-3-phenyl-N-(2-propylphenyl)propanamide
CID 119705368
3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119854205
3-amino-2-methyl-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]-3-phenylpropanamide
CID 119761379
3-amino-N-(1-cyclopentylethyl)-2-methyl-3-phenylpropanamide
CID 80552136

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-3-phenylpropanamide (CID 119871542) is 3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-3-phenylpropanamide is CC(C(=O)Nc1ccccc1NC1CCN(C)CC1)C(N)c1ccccc1.
What is the InChIKey of 3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-3-phenylpropanamide?
The InChIKey is NEKRLOBZYJXFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-16(21(23)17-8-4-3-5-9-17)22(27)25-20-11-7-6-10-19(20)24-18-12-14-26(2)15-13-18/h3-11,16,18,21,24H,12-15,23H2,1-2H3,(H,25,27).
What are the key properties of 3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-3-phenylpropanamide?
3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-3-phenylpropanamide has a molecular weight of 366.51 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 119871542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).