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

C25H34N4O2+2 — CID 8774325

IUPAC(2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-N-(2-phenylphenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CC[NH+](CC(=O)N2CCCC2)CC1
InChIInChI=1S/C25H32N4O2/c1-20(28-17-15-27(16-18-28)19-24(30)29-13-7-8-14-29)25(31)26-23-12-6-5-11-22(23)21-9-3-2-4-10-21/h2-6,9-12,20H,7-8,13-19H2,1H3,(H,26,31)/p+2/t20-/m1/s1
InChIKeyQPHIFNOVONGPAN-HXUWFJFHSA-P
MW422.57 g/mol
LogP0.09
Rot. Bonds6

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

(2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-N-(2-phenylphenyl)propanamide (PubChem CID 8774325) has the molecular formula C25H34N4O2+2 and a molecular weight of 422.57 g/mol. Its IUPAC name is (2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-N-(2-phenylphenyl)propanamide
PubChem CID8774325
Molecular FormulaC25H34N4O2+2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name(2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-N-(2-phenylphenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CC[NH+](CC(=O)N2CCCC2)CC1
InChIInChI=1S/C25H32N4O2/c1-20(28-17-15-27(16-18-28)19-24(30)29-13-7-8-14-29)25(31)26-23-12-6-5-11-22(23)21-9-3-2-4-10-21/h2-6,9-12,20H,7-8,13-19H2,1H3,(H,26,31)/p+2/t20-/m1/s1
InChIKeyQPHIFNOVONGPAN-HXUWFJFHSA-P
XLogP0.09
TPSA58.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(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-(4-propan-2-ylphenyl)propanamide
CID 8774331
(2R)-N-(2-phenylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]propanamide
CID 8720724
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide
CID 2100076
(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide
CID 7922114
(2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-(2-phenylphenyl)propanamide
CID 8994136
oxalic acid;N-(2-phenylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 171668760
(2S)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide
CID 2690486
(2R)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1,4-diium-1-yl]-N-phenylpropanamide
CID 8774135
N-(2-phenylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 2653965
(2R)-N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-2-phenylacetamide
CID 8774337
2-(4-acetylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide
CID 18078428

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-N-(2-phenylphenyl)propanamide?
The IUPAC name of (2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-N-(2-phenylphenyl)propanamide (CID 8774325) is (2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-N-(2-phenylphenyl)propanamide?
The canonical SMILES for (2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-N-(2-phenylphenyl)propanamide is C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CC[NH+](CC(=O)N2CCCC2)CC1.
What is the InChIKey of (2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-N-(2-phenylphenyl)propanamide?
The InChIKey is QPHIFNOVONGPAN-HXUWFJFHSA-P. The full InChI is InChI=1S/C25H32N4O2/c1-20(28-17-15-27(16-18-28)19-24(30)29-13-7-8-14-29)25(31)26-23-12-6-5-11-22(23)21-9-3-2-4-10-21/h2-6,9-12,20H,7-8,13-19H2,1H3,(H,26,31)/p+2/t20-/m1/s1.
What are the key properties of (2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-N-(2-phenylphenyl)propanamide?
(2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-N-(2-phenylphenyl)propanamide has a molecular weight of 422.57 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)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 8774325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).