N-carbamoyl-2-(4-pyrazin-2-ylpiperazin-1-yl)propanamide

C12H18N6O2 — CID 43061940

IUPACN-carbamoyl-2-(4-pyrazin-2-ylpiperazin-1-yl)propanamide
SMILESCC(C(=O)NC(N)=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C12H18N6O2/c1-9(11(19)16-12(13)20)17-4-6-18(7-5-17)10-8-14-2-3-15-10/h2-3,8-9H,4-7H2,1H3,(H3,13,16,19,20)
InChIKeyLMLRBKRNVSJOLY-UHFFFAOYSA-N
MW278.32 g/mol
LogP-0.82
Rot. Bonds3

About N-carbamoyl-2-(4-pyrazin-2-ylpiperazin-1-yl)propanamide

N-carbamoyl-2-(4-pyrazin-2-ylpiperazin-1-yl)propanamide (PubChem CID 43061940) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is N-carbamoyl-2-(4-pyrazin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(4-pyrazin-2-ylpiperazin-1-yl)propanamide
PubChem CID43061940
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC NameN-carbamoyl-2-(4-pyrazin-2-ylpiperazin-1-yl)propanamide
SMILESCC(C(=O)NC(N)=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C12H18N6O2/c1-9(11(19)16-12(13)20)17-4-6-18(7-5-17)10-8-14-2-3-15-10/h2-3,8-9H,4-7H2,1H3,(H3,13,16,19,20)
InChIKeyLMLRBKRNVSJOLY-UHFFFAOYSA-N
XLogP-0.82
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(4-pyrazin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-carbamoyl-2-(4-pyrazin-2-ylpiperazin-1-yl)propanamide (CID 43061940) is N-carbamoyl-2-(4-pyrazin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-carbamoyl-2-(4-pyrazin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-carbamoyl-2-(4-pyrazin-2-ylpiperazin-1-yl)propanamide is CC(C(=O)NC(N)=O)N1CCN(c2cnccn2)CC1.
What is the InChIKey of N-carbamoyl-2-(4-pyrazin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is LMLRBKRNVSJOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-9(11(19)16-12(13)20)17-4-6-18(7-5-17)10-8-14-2-3-15-10/h2-3,8-9H,4-7H2,1H3,(H3,13,16,19,20).
What are the key properties of N-carbamoyl-2-(4-pyrazin-2-ylpiperazin-1-yl)propanamide?
N-carbamoyl-2-(4-pyrazin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 278.32 g/mol, XLogP of -0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(4-pyrazin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 43061940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).