(3R)-3-[2-[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(2-fluorophenyl)methyl]piperazin-2-one

C23H30FN3O2 — CID 25483038

IUPAC(3R)-3-[2-[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(2-fluorophenyl)methyl]piperazin-2-one
SMILESC=CCC1(CC=C)CCCN1C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1F
InChIInChI=1S/C23H30FN3O2/c1-3-10-23(11-4-2)12-7-14-27(23)21(28)16-20-22(29)25-13-15-26(20)17-18-8-5-6-9-19(18)24/h3-6,8-9,20H,1-2,7,10-17H2,(H,25,29)/t20-/m1/s1
InChIKeyIPGSGLCVARKOEU-HXUWFJFHSA-N
MW399.51 g/mol
LogP3.03
Rot. Bonds8

About (3R)-3-[2-[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(2-fluorophenyl)methyl]piperazin-2-one

(3R)-3-[2-[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(2-fluorophenyl)methyl]piperazin-2-one (PubChem CID 25483038) has the molecular formula C23H30FN3O2 and a molecular weight of 399.51 g/mol. Its IUPAC name is (3R)-3-[2-[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(2-fluorophenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-[2-[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(2-fluorophenyl)methyl]piperazin-2-one
PubChem CID25483038
Molecular FormulaC23H30FN3O2
Molecular Weight399.51 g/mol
Exact Mass399.23
IUPAC Name(3R)-3-[2-[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(2-fluorophenyl)methyl]piperazin-2-one
SMILESC=CCC1(CC=C)CCCN1C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1F
InChIInChI=1S/C23H30FN3O2/c1-3-10-23(11-4-2)12-7-14-27(23)21(28)16-20-22(29)25-13-15-26(20)17-18-8-5-6-9-19(18)24/h3-6,8-9,20H,1-2,7,10-17H2,(H,25,29)/t20-/m1/s1
InChIKeyIPGSGLCVARKOEU-HXUWFJFHSA-N
XLogP3.03
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]-2-oxoethyl]-4-[(2-methoxyphenyl)methyl]piperazin-2-one
CID 42301357
3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]-2-oxoethyl]-4-(pyridin-3-ylmethyl)piperazin-2-one
CID 45238418
(3R)-3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]-2-oxoethyl]-4-(pyridin-3-ylmethyl)piperazin-2-one
CID 42198448
ethyl 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 2997439
(3S)-4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 95726510
4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 56911735
N-(2-acetamidoethyl)-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 56903638
methyl 2-[[2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetyl]-methylamino]acetate
CID 45242481
N-butyl-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 45230540
2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 56897419
N-[(4-chlorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45209913
(3R)-4-[(2-fluorophenyl)methyl]-3-[2-[4-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 42595229

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(2-fluorophenyl)methyl]piperazin-2-one?
The IUPAC name of (3R)-3-[2-[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(2-fluorophenyl)methyl]piperazin-2-one (CID 25483038) is (3R)-3-[2-[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(2-fluorophenyl)methyl]piperazin-2-one.
What is the SMILES notation for (3R)-3-[2-[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(2-fluorophenyl)methyl]piperazin-2-one?
The canonical SMILES for (3R)-3-[2-[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(2-fluorophenyl)methyl]piperazin-2-one is C=CCC1(CC=C)CCCN1C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1F.
What is the InChIKey of (3R)-3-[2-[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(2-fluorophenyl)methyl]piperazin-2-one?
The InChIKey is IPGSGLCVARKOEU-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H30FN3O2/c1-3-10-23(11-4-2)12-7-14-27(23)21(28)16-20-22(29)25-13-15-26(20)17-18-8-5-6-9-19(18)24/h3-6,8-9,20H,1-2,7,10-17H2,(H,25,29)/t20-/m1/s1.
What are the key properties of (3R)-3-[2-[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(2-fluorophenyl)methyl]piperazin-2-one?
(3R)-3-[2-[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(2-fluorophenyl)methyl]piperazin-2-one has a molecular weight of 399.51 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(2-fluorophenyl)methyl]piperazin-2-one is sourced from PubChem (CID 25483038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).