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

C18H31Cl2N5O — CID 119572479

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
SMILESCC(CN)(NC(=O)CCN1CCN(c2ccccn2)CC1)C1CC1.Cl.Cl
InChIInChI=1S/C18H29N5O.2ClH/c1-18(14-19,15-5-6-15)21-17(24)7-9-22-10-12-23(13-11-22)16-4-2-3-8-20-16;;/h2-4,8,15H,5-7,9-14,19H2,1H3,(H,21,24);2*1H
InChIKeyNOBAPEOGHVJPBR-UHFFFAOYSA-N
MW404.39 g/mol
LogP1.68
Rot. Bonds7

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

N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride (PubChem CID 119572479) has the molecular formula C18H31Cl2N5O and a molecular weight of 404.39 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
PubChem CID119572479
Molecular FormulaC18H31Cl2N5O
Molecular Weight404.39 g/mol
Exact Mass403.19
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
SMILESCC(CN)(NC(=O)CCN1CCN(c2ccccn2)CC1)C1CC1.Cl.Cl
InChIInChI=1S/C18H29N5O.2ClH/c1-18(14-19,15-5-6-15)21-17(24)7-9-22-10-12-23(13-11-22)16-4-2-3-8-20-16;;/h2-4,8,15H,5-7,9-14,19H2,1H3,(H,21,24);2*1H
InChIKeyNOBAPEOGHVJPBR-UHFFFAOYSA-N
XLogP1.68
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

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CID 119605702
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3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
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4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
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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-[4-(dimethylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 6259677
1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109014349
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 120947300
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
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride (CID 119572479) is N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride is CC(CN)(NC(=O)CCN1CCN(c2ccccn2)CC1)C1CC1.Cl.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride?
The InChIKey is NOBAPEOGHVJPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O.2ClH/c1-18(14-19,15-5-6-15)21-17(24)7-9-22-10-12-23(13-11-22)16-4-2-3-8-20-16;;/h2-4,8,15H,5-7,9-14,19H2,1H3,(H,21,24);2*1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride has a molecular weight of 404.39 g/mol, XLogP of 1.68, 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-cyclopropylpropan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119572479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).