1-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide

C18H28N4O — CID 119901973

IUPAC1-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C18H28N4O/c19-18(7-8-18)17(23)20-9-4-10-21-11-13-22(14-12-21)15-16-5-2-1-3-6-16/h1-3,5-6H,4,7-15,19H2,(H,20,23)
InChIKeyROWFXLWUGKFNIG-UHFFFAOYSA-N
MW316.45 g/mol
LogP0.80
Rot. Bonds7

About 1-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide

1-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide (PubChem CID 119901973) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide
PubChem CID119901973
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name1-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C18H28N4O/c19-18(7-8-18)17(23)20-9-4-10-21-11-13-22(14-12-21)15-16-5-2-1-3-6-16/h1-3,5-6H,4,7-15,19H2,(H,20,23)
InChIKeyROWFXLWUGKFNIG-UHFFFAOYSA-N
XLogP0.80
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119872708
1-[3-(4-benzylpiperazin-1-yl)propyl]-3-(2-hydroxyethyl)urea
CID 110894265
2-chloroethyl N-[3-(4-benzylpiperazin-1-yl)propyl]carbamate
CID 18430905
4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 119902006
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-sulfamoylphenyl)acetamide
CID 56546473
4-amino-1-benzylpiperidine-4-carbohydrazide
CID 21495768
carbamothioic S-acid;O-methyl N-[3-(4-benzylpiperazin-1-yl)propyl]carbamothioate
CID 88677924
1-amino-N-[3-(azepan-1-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119831195
N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(methylamino)acetamide
CID 120703889
1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride
CID 119827542
N-[3-(4-benzylpiperazin-1-yl)propyl]-1,2,5-thiadiazole-3-carboxamide
CID 87010295
4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methoxybutanamide
CID 120597571

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide (CID 119901973) is 1-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide is NC1(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide?
The InChIKey is ROWFXLWUGKFNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c19-18(7-8-18)17(23)20-9-4-10-21-11-13-22(14-12-21)15-16-5-2-1-3-6-16/h1-3,5-6H,4,7-15,19H2,(H,20,23).
What are the key properties of 1-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide?
1-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119901973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).