4-(3-fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one

Name: 4-(3-fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₉FN₂O — CID 158051128

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-(3-fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one

SMILESC=C1C(=O)N(C(C)C)CCN1CCCF

InChIInChI=1S/C11H19FN2O/c1-9(2)14-8-7-13(6-4-5-12)10(3)11(14)15/h9H,3-8H2,1-2H3

InChIKeyPOMKSVSYTFSJSN-UHFFFAOYSA-N

MW214.28 g/mol

LogP1.41

Rot. Bonds4

About 4-(3-fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one

4-(3-fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one (PubChem CID 158051128) has the molecular formula C₁₁H₁₉FN₂O and a molecular weight of 214.28 g/mol. Its IUPAC name is 4-(3-fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name	4-(3-fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one
PubChem CID	158051128
Molecular Formula	C₁₁H₁₉FN₂O
Molecular Weight	214.28 g/mol
Exact Mass	214.15
IUPAC Name	4-(3-fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one
SMILES	C=C1C(=O)N(C(C)C)CCN1CCCF
InChI	InChI=1S/C11H19FN2O/c1-9(2)14-8-7-13(6-4-5-12)10(3)11(14)15/h9H,3-8H2,1-2H3
InChIKey	POMKSVSYTFSJSN-UHFFFAOYSA-N
XLogP	1.41
TPSA	23.55 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	4
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	214.28
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one?

The IUPAC name of 4-(3-fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one (CID 158051128) is 4-(3-fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one.

What is the SMILES notation for 4-(3-fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one?

The canonical SMILES for 4-(3-fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one is C=C1C(=O)N(C(C)C)CCN1CCCF.

What is the InChIKey of 4-(3-fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one?

The InChIKey is POMKSVSYTFSJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O/c1-9(2)14-8-7-13(6-4-5-12)10(3)11(14)15/h9H,3-8H2,1-2H3.

What are the key properties of 4-(3-fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one?

4-(3-fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one has a molecular weight of 214.28 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 158051128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 158051128 — identifiers, structure, computed properties (public domain)

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