4-[2-[(2-aminoacetyl)amino]acetyl]-N,N-dimethylpiperazine-1-carboxamide

C11H21N5O3 — CID 54872734

IUPAC4-[2-[(2-aminoacetyl)amino]acetyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)CNC(=O)CN)CC1
InChIInChI=1S/C11H21N5O3/c1-14(2)11(19)16-5-3-15(4-6-16)10(18)8-13-9(17)7-12/h3-8,12H2,1-2H3,(H,13,17)
InChIKeyADJKCKBLZNCNLX-UHFFFAOYSA-N
MW271.32 g/mol
LogP-2.11
Rot. Bonds3

About 4-[2-[(2-aminoacetyl)amino]acetyl]-N,N-dimethylpiperazine-1-carboxamide

4-[2-[(2-aminoacetyl)amino]acetyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 54872734) has the molecular formula C11H21N5O3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[2-[(2-aminoacetyl)amino]acetyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[(2-aminoacetyl)amino]acetyl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID54872734
Molecular FormulaC11H21N5O3
Molecular Weight271.32 g/mol
Exact Mass271.16
IUPAC Name4-[2-[(2-aminoacetyl)amino]acetyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)CNC(=O)CN)CC1
InChIInChI=1S/C11H21N5O3/c1-14(2)11(19)16-5-3-15(4-6-16)10(18)8-13-9(17)7-12/h3-8,12H2,1-2H3,(H,13,17)
InChIKeyADJKCKBLZNCNLX-UHFFFAOYSA-N
XLogP-2.11
TPSA98.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-2.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-[4-(3-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 60946727
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-[4-(dimethylcarbamoyl)piperazin-1-yl]-3-oxopropanoic acid
CID 62231766
2-amino-N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 107220699
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
2-amino-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 60936651
2-amino-N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 114678319
2-amino-N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 60939107

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-aminoacetyl)amino]acetyl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-[(2-aminoacetyl)amino]acetyl]-N,N-dimethylpiperazine-1-carboxamide (CID 54872734) is 4-[2-[(2-aminoacetyl)amino]acetyl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-[(2-aminoacetyl)amino]acetyl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-[(2-aminoacetyl)amino]acetyl]-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=O)N1CCN(C(=O)CNC(=O)CN)CC1.
What is the InChIKey of 4-[2-[(2-aminoacetyl)amino]acetyl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is ADJKCKBLZNCNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3/c1-14(2)11(19)16-5-3-15(4-6-16)10(18)8-13-9(17)7-12/h3-8,12H2,1-2H3,(H,13,17).
What are the key properties of 4-[2-[(2-aminoacetyl)amino]acetyl]-N,N-dimethylpiperazine-1-carboxamide?
4-[2-[(2-aminoacetyl)amino]acetyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 271.32 g/mol, XLogP of -2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-aminoacetyl)amino]acetyl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 54872734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).