1-amino-2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide

C15H30N4O — CID 79564009

IUPAC1-amino-2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide
SMILESCCC1CN(CCC2CCCC2(N)C(N)=O)CCN1C
InChIInChI=1S/C15H30N4O/c1-3-13-11-19(10-9-18(13)2)8-6-12-5-4-7-15(12,17)14(16)20/h12-13H,3-11,17H2,1-2H3,(H2,16,20)
InChIKeyGRAXAVLNWYIPTL-UHFFFAOYSA-N
MW282.43 g/mol
LogP0.39
Rot. Bonds5

About 1-amino-2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide

1-amino-2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide (PubChem CID 79564009) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-amino-2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide
PubChem CID79564009
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name1-amino-2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide
SMILESCCC1CN(CCC2CCCC2(N)C(N)=O)CCN1C
InChIInChI=1S/C15H30N4O/c1-3-13-11-19(10-9-18(13)2)8-6-12-5-4-7-15(12,17)14(16)20/h12-13H,3-11,17H2,1-2H3,(H2,16,20)
InChIKeyGRAXAVLNWYIPTL-UHFFFAOYSA-N
XLogP0.39
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide (CID 79564009) is 1-amino-2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide is CCC1CN(CCC2CCCC2(N)C(N)=O)CCN1C.
What is the InChIKey of 1-amino-2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is GRAXAVLNWYIPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-3-13-11-19(10-9-18(13)2)8-6-12-5-4-7-15(12,17)14(16)20/h12-13H,3-11,17H2,1-2H3,(H2,16,20).
What are the key properties of 1-amino-2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide?
1-amino-2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 79564009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).