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

C13H22N4O — CID 47018327

IUPAC2-[4-(2-cyanoethyl)piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1CCN(CCC#N)CC1
InChIInChI=1S/C13H22N4O/c1-11(13(18)15-12-3-4-12)17-9-7-16(8-10-17)6-2-5-14/h11-12H,2-4,6-10H2,1H3,(H,15,18)
InChIKeyOINJHQKONUVWPK-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.18
Rot. Bonds5

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

2-[4-(2-cyanoethyl)piperazin-1-yl]-N-cyclopropylpropanamide (PubChem CID 47018327) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[4-(2-cyanoethyl)piperazin-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[4-(2-cyanoethyl)piperazin-1-yl]-N-cyclopropylpropanamide
PubChem CID47018327
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[4-(2-cyanoethyl)piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1CCN(CCC#N)CC1
InChIInChI=1S/C13H22N4O/c1-11(13(18)15-12-3-4-12)17-9-7-16(8-10-17)6-2-5-14/h11-12H,2-4,6-10H2,1H3,(H,15,18)
InChIKeyOINJHQKONUVWPK-UHFFFAOYSA-N
XLogP0.18
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyanoethyl)piperazin-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of 2-[4-(2-cyanoethyl)piperazin-1-yl]-N-cyclopropylpropanamide (CID 47018327) is 2-[4-(2-cyanoethyl)piperazin-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[4-(2-cyanoethyl)piperazin-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[4-(2-cyanoethyl)piperazin-1-yl]-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)N1CCN(CCC#N)CC1.
What is the InChIKey of 2-[4-(2-cyanoethyl)piperazin-1-yl]-N-cyclopropylpropanamide?
The InChIKey is OINJHQKONUVWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11(13(18)15-12-3-4-12)17-9-7-16(8-10-17)6-2-5-14/h11-12H,2-4,6-10H2,1H3,(H,15,18).
What are the key properties of 2-[4-(2-cyanoethyl)piperazin-1-yl]-N-cyclopropylpropanamide?
2-[4-(2-cyanoethyl)piperazin-1-yl]-N-cyclopropylpropanamide has a molecular weight of 250.35 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyanoethyl)piperazin-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 47018327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).