2-(2-cyanopiperazin-1-yl)-N,N-di(propan-2-yl)acetamide

C13H24N4O — CID 79085658

IUPAC2-(2-cyanopiperazin-1-yl)-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CN1CCNCC1C#N)C(C)C
InChIInChI=1S/C13H24N4O/c1-10(2)17(11(3)4)13(18)9-16-6-5-15-8-12(16)7-14/h10-12,15H,5-6,8-9H2,1-4H3
InChIKeySFUXVUVIYPDMLI-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.43
Rot. Bonds4

About 2-(2-cyanopiperazin-1-yl)-N,N-di(propan-2-yl)acetamide

2-(2-cyanopiperazin-1-yl)-N,N-di(propan-2-yl)acetamide (PubChem CID 79085658) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(2-cyanopiperazin-1-yl)-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-cyanopiperazin-1-yl)-N,N-di(propan-2-yl)acetamide
PubChem CID79085658
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-(2-cyanopiperazin-1-yl)-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CN1CCNCC1C#N)C(C)C
InChIInChI=1S/C13H24N4O/c1-10(2)17(11(3)4)13(18)9-16-6-5-15-8-12(16)7-14/h10-12,15H,5-6,8-9H2,1-4H3
InChIKeySFUXVUVIYPDMLI-UHFFFAOYSA-N
XLogP0.43
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-methylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 82705954
ethyl 2-(2-cyanopiperazin-1-yl)acetate
CID 79085208
N-butan-2-yl-2-(2-cyanopiperazin-1-yl)acetamide
CID 79085462
2-(2-cyanopiperazin-1-yl)-N-methyl-N-phenylacetamide
CID 79085439
1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazine-2-carbonitrile
CID 79085240
1-[(2S)-2-hydroxypropyl]piperazine-2-carbonitrile
CID 106933588
1-(2-oxo-2-piperidin-1-ylethyl)piperazine-2-carbonitrile
CID 79086610
1-(2-methylpropyl)piperazine-2-carbonitrile
CID 79085427
2-(2-cyanopiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 79085324
2-(2-cyanopiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 79085962
3-(2-cyanopiperazin-1-yl)-2,2-dimethylpropanoic acid
CID 79621560
3-(2-cyanopiperazin-1-yl)propanamide
CID 79086609

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopiperazin-1-yl)-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(2-cyanopiperazin-1-yl)-N,N-di(propan-2-yl)acetamide (CID 79085658) is 2-(2-cyanopiperazin-1-yl)-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(2-cyanopiperazin-1-yl)-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(2-cyanopiperazin-1-yl)-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CN1CCNCC1C#N)C(C)C.
What is the InChIKey of 2-(2-cyanopiperazin-1-yl)-N,N-di(propan-2-yl)acetamide?
The InChIKey is SFUXVUVIYPDMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)17(11(3)4)13(18)9-16-6-5-15-8-12(16)7-14/h10-12,15H,5-6,8-9H2,1-4H3.
What are the key properties of 2-(2-cyanopiperazin-1-yl)-N,N-di(propan-2-yl)acetamide?
2-(2-cyanopiperazin-1-yl)-N,N-di(propan-2-yl)acetamide has a molecular weight of 252.36 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopiperazin-1-yl)-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 79085658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).