N-(1-aminohexan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride

C18H33Cl2N5O — CID 119665105

IUPACN-(1-aminohexan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
SMILESCCCCC(CN)NC(=O)CCN1CCN(c2ccccn2)CC1.Cl.Cl
InChIInChI=1S/C18H31N5O.2ClH/c1-2-3-6-16(15-19)21-18(24)8-10-22-11-13-23(14-12-22)17-7-4-5-9-20-17;;/h4-5,7,9,16H,2-3,6,8,10-15,19H2,1H3,(H,21,24);2*1H
InChIKeyOABSNEOSNHSDCQ-UHFFFAOYSA-N
MW406.40 g/mol
LogP2.07
Rot. Bonds9

About N-(1-aminohexan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride

N-(1-aminohexan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride (PubChem CID 119665105) has the molecular formula C18H33Cl2N5O and a molecular weight of 406.40 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
PubChem CID119665105
Molecular FormulaC18H33Cl2N5O
Molecular Weight406.40 g/mol
Exact Mass405.21
IUPAC NameN-(1-aminohexan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
SMILESCCCCC(CN)NC(=O)CCN1CCN(c2ccccn2)CC1.Cl.Cl
InChIInChI=1S/C18H31N5O.2ClH/c1-2-3-6-16(15-19)21-18(24)8-10-22-11-13-23(14-12-22)17-7-4-5-9-20-17;;/h4-5,7,9,16H,2-3,6,8,10-15,19H2,1H3,(H,21,24);2*1H
InChIKeyOABSNEOSNHSDCQ-UHFFFAOYSA-N
XLogP2.07
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-aminohexan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
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3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
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(2S)-3-phenyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propanoylamino]propanoic acid
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N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 119572479
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
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4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
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
N-(2-amino-1-cyclopropylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride
CID 119616508
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride (CID 119665105) is N-(1-aminohexan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride is CCCCC(CN)NC(=O)CCN1CCN(c2ccccn2)CC1.Cl.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride?
The InChIKey is OABSNEOSNHSDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O.2ClH/c1-2-3-6-16(15-19)21-18(24)8-10-22-11-13-23(14-12-22)17-7-4-5-9-20-17;;/h4-5,7,9,16H,2-3,6,8,10-15,19H2,1H3,(H,21,24);2*1H.
What are the key properties of N-(1-aminohexan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride?
N-(1-aminohexan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride has a molecular weight of 406.40 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119665105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).