4-(1-aminocyclobutanecarbonyl)-N-ethylpiperazine-1-carboxamide

C12H22N4O2 — CID 81173172

IUPAC4-(1-aminocyclobutanecarbonyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)C2(N)CCC2)CC1
InChIInChI=1S/C12H22N4O2/c1-2-14-11(18)16-8-6-15(7-9-16)10(17)12(13)4-3-5-12/h2-9,13H2,1H3,(H,14,18)
InChIKeyJWPADXBIJQGYMY-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.26
Rot. Bonds2

About 4-(1-aminocyclobutanecarbonyl)-N-ethylpiperazine-1-carboxamide

4-(1-aminocyclobutanecarbonyl)-N-ethylpiperazine-1-carboxamide (PubChem CID 81173172) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-(1-aminocyclobutanecarbonyl)-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-aminocyclobutanecarbonyl)-N-ethylpiperazine-1-carboxamide
PubChem CID81173172
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-(1-aminocyclobutanecarbonyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)C2(N)CCC2)CC1
InChIInChI=1S/C12H22N4O2/c1-2-14-11(18)16-8-6-15(7-9-16)10(17)12(13)4-3-5-12/h2-9,13H2,1H3,(H,14,18)
InChIKeyJWPADXBIJQGYMY-UHFFFAOYSA-N
XLogP-0.26
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclobutanecarbonyl)-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-(1-aminocyclobutanecarbonyl)-N-ethylpiperazine-1-carboxamide (CID 81173172) is 4-(1-aminocyclobutanecarbonyl)-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(1-aminocyclobutanecarbonyl)-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(1-aminocyclobutanecarbonyl)-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)C2(N)CCC2)CC1.
What is the InChIKey of 4-(1-aminocyclobutanecarbonyl)-N-ethylpiperazine-1-carboxamide?
The InChIKey is JWPADXBIJQGYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-2-14-11(18)16-8-6-15(7-9-16)10(17)12(13)4-3-5-12/h2-9,13H2,1H3,(H,14,18).
What are the key properties of 4-(1-aminocyclobutanecarbonyl)-N-ethylpiperazine-1-carboxamide?
4-(1-aminocyclobutanecarbonyl)-N-ethylpiperazine-1-carboxamide has a molecular weight of 254.33 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclobutanecarbonyl)-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 81173172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).