7-amino-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]heptanamide;dihydrochloride

C19H33Cl2N5O2 — CID 119870734

IUPAC7-amino-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]heptanamide;dihydrochloride
SMILESCl.Cl.NCCCCCCC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H31N5O2.2ClH/c20-10-5-2-1-3-8-18(25)22-12-9-19(26)24-15-13-23(14-16-24)17-7-4-6-11-21-17;;/h4,6-7,11H,1-3,5,8-10,12-16,20H2,(H,22,25);2*1H
InChIKeyLORTYLLEHVXTME-UHFFFAOYSA-N
MW434.41 g/mol
LogP1.99
Rot. Bonds10

About 7-amino-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]heptanamide;dihydrochloride

7-amino-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]heptanamide;dihydrochloride (PubChem CID 119870734) has the molecular formula C19H33Cl2N5O2 and a molecular weight of 434.41 g/mol. Its IUPAC name is 7-amino-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]heptanamide;dihydrochloride.

Molecular Properties

Compound Name7-amino-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]heptanamide;dihydrochloride
PubChem CID119870734
Molecular FormulaC19H33Cl2N5O2
Molecular Weight434.41 g/mol
Exact Mass433.20
IUPAC Name7-amino-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]heptanamide;dihydrochloride
SMILESCl.Cl.NCCCCCCC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H31N5O2.2ClH/c20-10-5-2-1-3-8-18(25)22-12-9-19(26)24-15-13-23(14-16-24)17-7-4-6-11-21-17;;/h4,6-7,11H,1-3,5,8-10,12-16,20H2,(H,22,25);2*1H
InChIKeyLORTYLLEHVXTME-UHFFFAOYSA-N
XLogP1.99
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
2-(4-aminophenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide
CID 119870745
2-methyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]butanamide
CID 51100747
N-butyl-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108941420
2-[(1R)-cyclopent-2-en-1-yl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide
CID 94806313
3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60842626
3-(propan-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60854319
3-(pentylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109030233
N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2-thiomorpholin-3-ylacetamide
CID 119941781
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
2-(3-methylbutyl)-1-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111092171
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]heptanamide;dihydrochloride?
The IUPAC name of 7-amino-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]heptanamide;dihydrochloride (CID 119870734) is 7-amino-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]heptanamide;dihydrochloride.
What is the SMILES notation for 7-amino-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]heptanamide;dihydrochloride?
The canonical SMILES for 7-amino-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]heptanamide;dihydrochloride is Cl.Cl.NCCCCCCC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 7-amino-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]heptanamide;dihydrochloride?
The InChIKey is LORTYLLEHVXTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2.2ClH/c20-10-5-2-1-3-8-18(25)22-12-9-19(26)24-15-13-23(14-16-24)17-7-4-6-11-21-17;;/h4,6-7,11H,1-3,5,8-10,12-16,20H2,(H,22,25);2*1H.
What are the key properties of 7-amino-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]heptanamide;dihydrochloride?
7-amino-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]heptanamide;dihydrochloride has a molecular weight of 434.41 g/mol, XLogP of 1.99, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]heptanamide;dihydrochloride is sourced from PubChem (CID 119870734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).