2-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride

C20H29Cl2N5O — CID 119897662

IUPAC2-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
SMILESCc1cc(N2CCC(NC(=O)C(N)Cc3ccccc3)CC2)nc(C)n1.Cl.Cl
InChIInChI=1S/C20H27N5O.2ClH/c1-14-12-19(23-15(2)22-14)25-10-8-17(9-11-25)24-20(26)18(21)13-16-6-4-3-5-7-16;;/h3-7,12,17-18H,8-11,13,21H2,1-2H3,(H,24,26);2*1H
InChIKeyZZNSIRAYOGEUSY-UHFFFAOYSA-N
MW426.39 g/mol
LogP2.59
Rot. Bonds5

About 2-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride

2-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119897662) has the molecular formula C20H29Cl2N5O and a molecular weight of 426.39 g/mol. Its IUPAC name is 2-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
PubChem CID119897662
Molecular FormulaC20H29Cl2N5O
Molecular Weight426.39 g/mol
Exact Mass425.17
IUPAC Name2-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
SMILESCc1cc(N2CCC(NC(=O)C(N)Cc3ccccc3)CC2)nc(C)n1.Cl.Cl
InChIInChI=1S/C20H27N5O.2ClH/c1-14-12-19(23-15(2)22-14)25-10-8-17(9-11-25)24-20(26)18(21)13-16-6-4-3-5-7-16;;/h3-7,12,17-18H,8-11,13,21H2,1-2H3,(H,24,26);2*1H
InChIKeyZZNSIRAYOGEUSY-UHFFFAOYSA-N
XLogP2.59
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119954156
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
CID 119897687
2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride
CID 119276757
2-amino-N-(1-ethylpiperidin-4-yl)-3-phenylpropanamide
CID 61039141
2-amino-3-phenyl-N-(1-phenylpyrrolidin-3-yl)propanamide
CID 119861685
(2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
CID 78984552
(2S)-2-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119853476
(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide
CID 78985707
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 136580514
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-ethoxybenzamide
CID 136512747

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride (CID 119897662) is 2-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride is Cc1cc(N2CCC(NC(=O)C(N)Cc3ccccc3)CC2)nc(C)n1.Cl.Cl.
What is the InChIKey of 2-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is ZZNSIRAYOGEUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O.2ClH/c1-14-12-19(23-15(2)22-14)25-10-8-17(9-11-25)24-20(26)18(21)13-16-6-4-3-5-7-16;;/h3-7,12,17-18H,8-11,13,21H2,1-2H3,(H,24,26);2*1H.
What are the key properties of 2-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride?
2-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 426.39 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119897662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).