(2R)-N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-2-phenylacetamide

C24H31FN4O2+2 — CID 8774337

IUPAC(2R)-N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-2-phenylacetamide
SMILESO=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+]1CC[NH+](CC(=O)N2CCCC2)CC1
InChIInChI=1S/C24H29FN4O2/c25-20-8-10-21(11-9-20)26-24(31)23(19-6-2-1-3-7-19)29-16-14-27(15-17-29)18-22(30)28-12-4-5-13-28/h1-3,6-11,23H,4-5,12-18H2,(H,26,31)/p+2/t23-/m1/s1
InChIKeyWKKUZZUGMQUWCV-HSZRJFAPSA-P
MW426.54 g/mol
LogP-0.09
Rot. Bonds6

About (2R)-N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-2-phenylacetamide

(2R)-N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-2-phenylacetamide (PubChem CID 8774337) has the molecular formula C24H31FN4O2+2 and a molecular weight of 426.54 g/mol. Its IUPAC name is (2R)-N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-2-phenylacetamide
PubChem CID8774337
Molecular FormulaC24H31FN4O2+2
Molecular Weight426.54 g/mol
Exact Mass426.24
IUPAC Name(2R)-N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-2-phenylacetamide
SMILESO=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+]1CC[NH+](CC(=O)N2CCCC2)CC1
InChIInChI=1S/C24H29FN4O2/c25-20-8-10-21(11-9-20)26-24(31)23(19-6-2-1-3-7-19)29-16-14-27(15-17-29)18-22(30)28-12-4-5-13-28/h1-3,6-11,23H,4-5,12-18H2,(H,26,31)/p+2/t23-/m1/s1
InChIKeyWKKUZZUGMQUWCV-HSZRJFAPSA-P
XLogP-0.09
TPSA58.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 8774331
(2S)-N-(4-bromophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]propanamide
CID 8774303
(2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-N-(2-phenylphenyl)propanamide
CID 8774325
(2S)-N-(4-methylphenyl)-2-morpholin-4-ium-4-yl-2-phenylacetamide
CID 6991525
(E)-N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-3-phenylprop-2-enamide
CID 9022090
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-fluorophenyl)acetamide
CID 5155461
(2R)-N-(3-chloro-4-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide
CID 2448804
2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide
CID 8719140
N-(4-fluorophenyl)-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetamide
CID 2697479
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 32701204
(2S)-N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 8774340
N-(4-fluorophenyl)-2-phenyl-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 42911934

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-2-phenylacetamide?
The IUPAC name of (2R)-N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-2-phenylacetamide (CID 8774337) is (2R)-N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-2-phenylacetamide is O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+]1CC[NH+](CC(=O)N2CCCC2)CC1.
What is the InChIKey of (2R)-N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-2-phenylacetamide?
The InChIKey is WKKUZZUGMQUWCV-HSZRJFAPSA-P. The full InChI is InChI=1S/C24H29FN4O2/c25-20-8-10-21(11-9-20)26-24(31)23(19-6-2-1-3-7-19)29-16-14-27(15-17-29)18-22(30)28-12-4-5-13-28/h1-3,6-11,23H,4-5,12-18H2,(H,26,31)/p+2/t23-/m1/s1.
What are the key properties of (2R)-N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-2-phenylacetamide?
(2R)-N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-2-phenylacetamide has a molecular weight of 426.54 g/mol, XLogP of -0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-2-phenylacetamide is sourced from PubChem (CID 8774337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).