2-[4-(1-cyanoethyl)piperazin-1-yl]propanamide

C10H18N4O — CID 63338755

IUPAC2-[4-(1-cyanoethyl)piperazin-1-yl]propanamide
SMILESCC(C#N)N1CCN(C(C)C(N)=O)CC1
InChIInChI=1S/C10H18N4O/c1-8(7-11)13-3-5-14(6-4-13)9(2)10(12)15/h8-9H,3-6H2,1-2H3,(H2,12,15)
InChIKeyWMMFNTBTLMFCPN-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.61
Rot. Bonds3

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

2-[4-(1-cyanoethyl)piperazin-1-yl]propanamide (PubChem CID 63338755) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[4-(1-cyanoethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-(1-cyanoethyl)piperazin-1-yl]propanamide
PubChem CID63338755
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-[4-(1-cyanoethyl)piperazin-1-yl]propanamide
SMILESCC(C#N)N1CCN(C(C)C(N)=O)CC1
InChIInChI=1S/C10H18N4O/c1-8(7-11)13-3-5-14(6-4-13)9(2)10(12)15/h8-9H,3-6H2,1-2H3,(H2,12,15)
InChIKeyWMMFNTBTLMFCPN-UHFFFAOYSA-N
XLogP-0.61
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyanoethyl)piperazin-1-yl]propanamide?
The IUPAC name of 2-[4-(1-cyanoethyl)piperazin-1-yl]propanamide (CID 63338755) is 2-[4-(1-cyanoethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for 2-[4-(1-cyanoethyl)piperazin-1-yl]propanamide?
The canonical SMILES for 2-[4-(1-cyanoethyl)piperazin-1-yl]propanamide is CC(C#N)N1CCN(C(C)C(N)=O)CC1.
What is the InChIKey of 2-[4-(1-cyanoethyl)piperazin-1-yl]propanamide?
The InChIKey is WMMFNTBTLMFCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8(7-11)13-3-5-14(6-4-13)9(2)10(12)15/h8-9H,3-6H2,1-2H3,(H2,12,15).
What are the key properties of 2-[4-(1-cyanoethyl)piperazin-1-yl]propanamide?
2-[4-(1-cyanoethyl)piperazin-1-yl]propanamide has a molecular weight of 210.28 g/mol, XLogP of -0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyanoethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 63338755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).