N-(2-piperazin-1-ylethyl)-1-propylcyclopropane-1-carboxamide;hydrochloride

C13H26ClN3O — CID 119448203

IUPACN-(2-piperazin-1-ylethyl)-1-propylcyclopropane-1-carboxamide;hydrochloride
SMILESCCCC1(C(=O)NCCN2CCNCC2)CC1.Cl
InChIInChI=1S/C13H25N3O.ClH/c1-2-3-13(4-5-13)12(17)15-8-11-16-9-6-14-7-10-16;/h14H,2-11H2,1H3,(H,15,17);1H
InChIKeyLJLITZLDIFORJY-UHFFFAOYSA-N
MW275.82 g/mol
LogP1.01
Rot. Bonds6

About N-(2-piperazin-1-ylethyl)-1-propylcyclopropane-1-carboxamide;hydrochloride

N-(2-piperazin-1-ylethyl)-1-propylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 119448203) has the molecular formula C13H26ClN3O and a molecular weight of 275.82 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-1-propylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-1-propylcyclopropane-1-carboxamide;hydrochloride
PubChem CID119448203
Molecular FormulaC13H26ClN3O
Molecular Weight275.82 g/mol
Exact Mass275.18
IUPAC NameN-(2-piperazin-1-ylethyl)-1-propylcyclopropane-1-carboxamide;hydrochloride
SMILESCCCC1(C(=O)NCCN2CCNCC2)CC1.Cl
InChIInChI=1S/C13H25N3O.ClH/c1-2-3-13(4-5-13)12(17)15-8-11-16-9-6-14-7-10-16;/h14H,2-11H2,1H3,(H,15,17);1H
InChIKeyLJLITZLDIFORJY-UHFFFAOYSA-N
XLogP1.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-4-propylpiperidine-4-carboxamide
CID 63128598
N-[3-(4-methylpiperazin-1-yl)propyl]-3-propylpyrrolidine-3-carboxamide
CID 63141437
N-(2-methylsulfonylethyl)-4-propylpiperidine-4-carboxamide
CID 55177593
N-[2-[ethyl(methyl)amino]ethyl]-4-propylpiperidine-4-carboxamide
CID 55176449
2-methoxy-N-(2-piperazin-1-ylethyl)propanamide
CID 115736805
N-[2-oxo-2-(propylamino)ethyl]-4-propylpiperidine-4-carboxamide
CID 63127591
N-(2-piperazin-1-ylethyl)-2-propylsulfanylacetamide
CID 119446583
N-[(1-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine-4-carboxamide
CID 106026149
1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)cyclobutane-1-carboxamide
CID 119391627
N-(cyanomethyl)-4-propylpiperidine-4-carboxamide
CID 63129150
2-methoxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119446588
3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119447149

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-1-propylcyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-(2-piperazin-1-ylethyl)-1-propylcyclopropane-1-carboxamide;hydrochloride (CID 119448203) is N-(2-piperazin-1-ylethyl)-1-propylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-1-propylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-1-propylcyclopropane-1-carboxamide;hydrochloride is CCCC1(C(=O)NCCN2CCNCC2)CC1.Cl.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-1-propylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is LJLITZLDIFORJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.ClH/c1-2-3-13(4-5-13)12(17)15-8-11-16-9-6-14-7-10-16;/h14H,2-11H2,1H3,(H,15,17);1H.
What are the key properties of N-(2-piperazin-1-ylethyl)-1-propylcyclopropane-1-carboxamide;hydrochloride?
N-(2-piperazin-1-ylethyl)-1-propylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 275.82 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-1-propylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119448203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).