2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-ethylacetamide

C11H22N4O2 — CID 54995847

IUPAC2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(C(=O)[C@@H](C)N)CC1
InChIInChI=1S/C11H22N4O2/c1-3-13-10(16)8-14-4-6-15(7-5-14)11(17)9(2)12/h9H,3-8,12H2,1-2H3,(H,13,16)/t9-/m1/s1
InChIKeyCHTQGMJBGDNQTI-SECBINFHSA-N
MW242.32 g/mol
LogP-1.39
Rot. Bonds4

About 2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-ethylacetamide

2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-ethylacetamide (PubChem CID 54995847) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-ethylacetamide
PubChem CID54995847
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(C(=O)[C@@H](C)N)CC1
InChIInChI=1S/C11H22N4O2/c1-3-13-10(16)8-14-4-6-15(7-5-14)11(17)9(2)12/h9H,3-8,12H2,1-2H3,(H,13,16)/t9-/m1/s1
InChIKeyCHTQGMJBGDNQTI-SECBINFHSA-N
XLogP-1.39
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-amino-3-methylbutanoyl)piperazin-1-yl]-N-ethylacetamide
CID 54870603
2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 93368513
4-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-2,3-dimethyl-4-oxobutanoic acid
CID 103497635
2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride
CID 119837882
methyl 2-[4-(2-aminopropanoyl)piperazin-1-yl]acetate
CID 60953142
2-[4-(3-aminobutanoyl)-1,4-diazepan-1-yl]-N-ethylacetamide
CID 120872775
2-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843968
2-[4-[(2S)-2-amino-3-phenylpropanoyl]piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843978
N-ethyl-2-[4-[3-(ethylamino)butanoyl]piperazin-1-yl]acetamide
CID 62837069
2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride
CID 119876862
2-(azetidin-1-yl)-N-ethylacetamide
CID 129266397
2-[4-(2-aminopentanoyl)piperazin-1-yl]-N-propylacetamide
CID 60936804

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-ethylacetamide (CID 54995847) is 2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCN(C(=O)[C@@H](C)N)CC1.
What is the InChIKey of 2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-ethylacetamide?
The InChIKey is CHTQGMJBGDNQTI-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-3-13-10(16)8-14-4-6-15(7-5-14)11(17)9(2)12/h9H,3-8,12H2,1-2H3,(H,13,16)/t9-/m1/s1.
What are the key properties of 2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-ethylacetamide?
2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-ethylacetamide has a molecular weight of 242.32 g/mol, XLogP of -1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 54995847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).