N-cyclopropyl-2-[4-(3-methylbut-2-enoyl)piperazin-1-yl]propanamide

C15H25N3O2 — CID 47144090

IUPACN-cyclopropyl-2-[4-(3-methylbut-2-enoyl)piperazin-1-yl]propanamide
SMILESCC(C)=CC(=O)N1CCN(C(C)C(=O)NC2CC2)CC1
InChIInChI=1S/C15H25N3O2/c1-11(2)10-14(19)18-8-6-17(7-9-18)12(3)15(20)16-13-4-5-13/h10,12-13H,4-9H2,1-3H3,(H,16,20)
InChIKeySKZMGZNHDAEWSH-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.76
Rot. Bonds4

About N-cyclopropyl-2-[4-(3-methylbut-2-enoyl)piperazin-1-yl]propanamide

N-cyclopropyl-2-[4-(3-methylbut-2-enoyl)piperazin-1-yl]propanamide (PubChem CID 47144090) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(3-methylbut-2-enoyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(3-methylbut-2-enoyl)piperazin-1-yl]propanamide
PubChem CID47144090
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-cyclopropyl-2-[4-(3-methylbut-2-enoyl)piperazin-1-yl]propanamide
SMILESCC(C)=CC(=O)N1CCN(C(C)C(=O)NC2CC2)CC1
InChIInChI=1S/C15H25N3O2/c1-11(2)10-14(19)18-8-6-17(7-9-18)12(3)15(20)16-13-4-5-13/h10,12-13H,4-9H2,1-3H3,(H,16,20)
InChIKeySKZMGZNHDAEWSH-UHFFFAOYSA-N
XLogP0.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(3-methylbut-2-enoyl)piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-(3-methylbut-2-enoyl)piperazin-1-yl]propanamide (CID 47144090) is N-cyclopropyl-2-[4-(3-methylbut-2-enoyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(3-methylbut-2-enoyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-(3-methylbut-2-enoyl)piperazin-1-yl]propanamide is CC(C)=CC(=O)N1CCN(C(C)C(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-(3-methylbut-2-enoyl)piperazin-1-yl]propanamide?
The InChIKey is SKZMGZNHDAEWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)10-14(19)18-8-6-17(7-9-18)12(3)15(20)16-13-4-5-13/h10,12-13H,4-9H2,1-3H3,(H,16,20).
What are the key properties of N-cyclopropyl-2-[4-(3-methylbut-2-enoyl)piperazin-1-yl]propanamide?
N-cyclopropyl-2-[4-(3-methylbut-2-enoyl)piperazin-1-yl]propanamide has a molecular weight of 279.38 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(3-methylbut-2-enoyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 47144090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).