1-cyclopropyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one

C16H24N6O2 — CID 70788033

IUPAC1-cyclopropyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(C2CC2)C1)N1CCN(CCn2cncn2)CC1
InChIInChI=1S/C16H24N6O2/c23-15-9-13(10-22(15)14-1-2-14)16(24)20-6-3-19(4-7-20)5-8-21-12-17-11-18-21/h11-14H,1-10H2
InChIKeyHWAGZWPMZHRYPE-UHFFFAOYSA-N
MW332.41 g/mol
LogP-0.57
Rot. Bonds5

About 1-cyclopropyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one

1-cyclopropyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 70788033) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-cyclopropyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID70788033
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name1-cyclopropyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(C2CC2)C1)N1CCN(CCn2cncn2)CC1
InChIInChI=1S/C16H24N6O2/c23-15-9-13(10-22(15)14-1-2-14)16(24)20-6-3-19(4-7-20)5-8-21-12-17-11-18-21/h11-14H,1-10H2
InChIKeyHWAGZWPMZHRYPE-UHFFFAOYSA-N
XLogP-0.57
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopropyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one (CID 70788033) is 1-cyclopropyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one is O=C(C1CC(=O)N(C2CC2)C1)N1CCN(CCn2cncn2)CC1.
What is the InChIKey of 1-cyclopropyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is HWAGZWPMZHRYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c23-15-9-13(10-22(15)14-1-2-14)16(24)20-6-3-19(4-7-20)5-8-21-12-17-11-18-21/h11-14H,1-10H2.
What are the key properties of 1-cyclopropyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one?
1-cyclopropyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 332.41 g/mol, XLogP of -0.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 70788033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).