N-(2-cyanoethyl)-2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]acetamide

C13H21N5O — CID 63339386

IUPACN-(2-cyanoethyl)-2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]acetamide
SMILESCC(C)(C#N)N1CCN(CC(=O)NCCC#N)CC1
InChIInChI=1S/C13H21N5O/c1-13(2,11-15)18-8-6-17(7-9-18)10-12(19)16-5-3-4-14/h3,5-10H2,1-2H3,(H,16,19)
InChIKeyZBGXQRDKWZRFQL-UHFFFAOYSA-N
MW263.34 g/mol
LogP-0.06
Rot. Bonds5

About N-(2-cyanoethyl)-2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]acetamide

N-(2-cyanoethyl)-2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]acetamide (PubChem CID 63339386) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]acetamide
PubChem CID63339386
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-(2-cyanoethyl)-2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]acetamide
SMILESCC(C)(C#N)N1CCN(CC(=O)NCCC#N)CC1
InChIInChI=1S/C13H21N5O/c1-13(2,11-15)18-8-6-17(7-9-18)10-12(19)16-5-3-4-14/h3,5-10H2,1-2H3,(H,16,19)
InChIKeyZBGXQRDKWZRFQL-UHFFFAOYSA-N
XLogP-0.06
TPSA83.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-cyanoethylamino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 47028760
N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 46673146
ethyl 1-[2-(2-cyanoethylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 34681202
N-(2-cyanoethyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 18124456
N-(2-cyanoethyl)-2-(3-methyl-4-oxopiperidin-1-yl)acetamide
CID 114500477
2-[1-[2-(2-cyanoethylamino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116683710
N-(cyanomethyl)-2-[4-(cyanomethyl)piperazin-1-yl]acetamide
CID 55218311
N-(2-cyanoethyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 43061951
3-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 55201788
N-(2-cyanoethyl)-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 34706072
N-(2-cyanoethyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide
CID 66197136
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanoethyl)acetamide
CID 63847341

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]acetamide (CID 63339386) is N-(2-cyanoethyl)-2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]acetamide is CC(C)(C#N)N1CCN(CC(=O)NCCC#N)CC1.
What is the InChIKey of N-(2-cyanoethyl)-2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]acetamide?
The InChIKey is ZBGXQRDKWZRFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-13(2,11-15)18-8-6-17(7-9-18)10-12(19)16-5-3-4-14/h3,5-10H2,1-2H3,(H,16,19).
What are the key properties of N-(2-cyanoethyl)-2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]acetamide?
N-(2-cyanoethyl)-2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]acetamide has a molecular weight of 263.34 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 63339386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).