N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride

C18H33Cl2N5O — CID 119605702

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
SMILESCC(C)C(C)(CN)NC(=O)CCN1CCN(c2ccccn2)CC1.Cl.Cl
InChIInChI=1S/C18H31N5O.2ClH/c1-15(2)18(3,14-19)21-17(24)7-9-22-10-12-23(13-11-22)16-6-4-5-8-20-16;;/h4-6,8,15H,7,9-14,19H2,1-3H3,(H,21,24);2*1H
InChIKeyDUUUMNWLNCBQPZ-UHFFFAOYSA-N
MW406.40 g/mol
LogP1.93
Rot. Bonds7

About N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride (PubChem CID 119605702) has the molecular formula C18H33Cl2N5O and a molecular weight of 406.40 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
PubChem CID119605702
Molecular FormulaC18H33Cl2N5O
Molecular Weight406.40 g/mol
Exact Mass405.21
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
SMILESCC(C)C(C)(CN)NC(=O)CCN1CCN(c2ccccn2)CC1.Cl.Cl
InChIInChI=1S/C18H31N5O.2ClH/c1-15(2)18(3,14-19)21-17(24)7-9-22-10-12-23(13-11-22)16-6-4-5-8-20-16;;/h4-6,8,15H,7,9-14,19H2,1-3H3,(H,21,24);2*1H
InChIKeyDUUUMNWLNCBQPZ-UHFFFAOYSA-N
XLogP1.93
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride with MolForge

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 119597610
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 119572479
3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 11971564
N-(1-aminohexan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 119665105
N-(4-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 109030344
N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 119527517
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
N-[4-(dimethylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 6259677
(2S)-3-phenyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propanoylamino]propanoic acid
CID 119366582
N-[2-(ethylaminomethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 119438834
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 120947300

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride (CID 119605702) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride is CC(C)C(C)(CN)NC(=O)CCN1CCN(c2ccccn2)CC1.Cl.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride?
The InChIKey is DUUUMNWLNCBQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O.2ClH/c1-15(2)18(3,14-19)21-17(24)7-9-22-10-12-23(13-11-22)16-6-4-5-8-20-16;;/h4-6,8,15H,7,9-14,19H2,1-3H3,(H,21,24);2*1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride has a molecular weight of 406.40 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119605702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).