2-amino-N-[2-[4-(3-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]acetamide

C13H24N4O3 — CID 60946727

IUPAC2-amino-N-[2-[4-(3-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCC(C)CC(=O)N1CCN(C(=O)CNC(=O)CN)CC1
InChIInChI=1S/C13H24N4O3/c1-10(2)7-12(19)16-3-5-17(6-4-16)13(20)9-15-11(18)8-14/h10H,3-9,14H2,1-2H3,(H,15,18)
InChIKeyCIUHWCWMTDKAKK-UHFFFAOYSA-N
MW284.36 g/mol
LogP-1.22
Rot. Bonds5

About 2-amino-N-[2-[4-(3-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]acetamide

2-amino-N-[2-[4-(3-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 60946727) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-amino-N-[2-[4-(3-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[4-(3-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID60946727
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name2-amino-N-[2-[4-(3-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCC(C)CC(=O)N1CCN(C(=O)CNC(=O)CN)CC1
InChIInChI=1S/C13H24N4O3/c1-10(2)7-12(19)16-3-5-17(6-4-16)13(20)9-15-11(18)8-14/h10H,3-9,14H2,1-2H3,(H,15,18)
InChIKeyCIUHWCWMTDKAKK-UHFFFAOYSA-N
XLogP-1.22
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(2-aminoacetyl)amino]acetyl]-N,N-dimethylpiperazine-1-carboxamide
CID 54872734
2-amino-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 60847921
2-amino-N-[2-oxo-2-(4-propanoyl-1,4-diazepan-1-yl)ethyl]acetamide
CID 54916224
2-amino-N-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]acetamide
CID 60847583
2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 60847225
3-amino-N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-6-oxohexyl]propanamide;hydrochloride
CID 119316226
2-amino-N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 107220699
1-[4-(4-aminobutyl)piperazin-1-yl]-3-methylbutan-1-one
CID 43251848
3-amino-N-(2-oxo-2-piperidin-1-ylethyl)butanamide
CID 115738358
5-amino-4-methyl-1-[4-(3-methylbutanoyl)piperazin-1-yl]pentan-1-one
CID 82011875
2-[1-[2-[(2-aminoacetyl)amino]acetyl]piperidin-4-yl]acetic acid
CID 79615805
1-[2-[(2-aminoacetyl)amino]acetyl]-4-propylpiperidine-4-carboxylic acid
CID 63126073

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[4-(3-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[4-(3-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]acetamide (CID 60946727) is 2-amino-N-[2-[4-(3-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[4-(3-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[4-(3-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]acetamide is CC(C)CC(=O)N1CCN(C(=O)CNC(=O)CN)CC1.
What is the InChIKey of 2-amino-N-[2-[4-(3-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is CIUHWCWMTDKAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-10(2)7-12(19)16-3-5-17(6-4-16)13(20)9-15-11(18)8-14/h10H,3-9,14H2,1-2H3,(H,15,18).
What are the key properties of 2-amino-N-[2-[4-(3-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]acetamide?
2-amino-N-[2-[4-(3-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 284.36 g/mol, XLogP of -1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[4-(3-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 60946727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).