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

C14H26N4O3 — CID 38724372

IUPAC4-[2-(2,2-dimethylpropanoylamino)acetyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)CNC(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H26N4O3/c1-14(2,3)12(20)15-10-11(19)17-6-8-18(9-7-17)13(21)16(4)5/h6-10H2,1-5H3,(H,15,20)
InChIKeyXAGTZBCQPBOAQE-UHFFFAOYSA-N
MW298.39 g/mol
LogP-0.03
Rot. Bonds2

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

4-[2-(2,2-dimethylpropanoylamino)acetyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 38724372) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-[2-(2,2-dimethylpropanoylamino)acetyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2,2-dimethylpropanoylamino)acetyl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID38724372
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name4-[2-(2,2-dimethylpropanoylamino)acetyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)CNC(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H26N4O3/c1-14(2,3)12(20)15-10-11(19)17-6-8-18(9-7-17)13(21)16(4)5/h6-10H2,1-5H3,(H,15,20)
InChIKeyXAGTZBCQPBOAQE-UHFFFAOYSA-N
XLogP-0.03
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Ethyl-3-[1-oxo-1-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-yl]urea
CID 44613717
N,N-dimethyl-4-[2-oxo-2-(pentan-3-ylamino)ethyl]piperazine-1-carboxamide
CID 45815835
N-(3-methylbutyl)-3-oxopiperazine-1-carboxamide
CID 172433619
N-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
CID 172434219
1-(2-(4-Ethyl-2,3-dioxo-1-piperaziny)ethyl)-3-methylurea
CID 132436
N-tert-butyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide
CID 53017587
4-butanoyl-N-ethylpiperazine-1-carboxamide
CID 60354508
4-(2-aminoacetyl)-N,N-dimethylpiperazine-1-carboxamide
CID 60962880
4-(1-amino-2-methyl-1-oxopropan-2-yl)-N-pentylpiperazine-1-carboxamide
CID 71860689
2,2,4-trimethyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 113549245
4-[2-oxo-2-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 133779791
2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 133847536

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2-dimethylpropanoylamino)acetyl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(2,2-dimethylpropanoylamino)acetyl]-N,N-dimethylpiperazine-1-carboxamide (CID 38724372) is 4-[2-(2,2-dimethylpropanoylamino)acetyl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(2,2-dimethylpropanoylamino)acetyl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(2,2-dimethylpropanoylamino)acetyl]-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=O)N1CCN(C(=O)CNC(=O)C(C)(C)C)CC1.
What is the InChIKey of 4-[2-(2,2-dimethylpropanoylamino)acetyl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is XAGTZBCQPBOAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-14(2,3)12(20)15-10-11(19)17-6-8-18(9-7-17)13(21)16(4)5/h6-10H2,1-5H3,(H,15,20).
What are the key properties of 4-[2-(2,2-dimethylpropanoylamino)acetyl]-N,N-dimethylpiperazine-1-carboxamide?
4-[2-(2,2-dimethylpropanoylamino)acetyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 298.39 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2-dimethylpropanoylamino)acetyl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 38724372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).