4-[2-(2-oxopyrrolidin-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide

C19H26N4O3 — CID 110086526

IUPAC4-[2-(2-oxopyrrolidin-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)CN2CCCC2=O)CCN1CCc1ccccc1
InChIInChI=1S/C19H26N4O3/c20-19(26)16-13-23(18(25)14-22-9-4-7-17(22)24)12-11-21(16)10-8-15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2,(H2,20,26)
InChIKeyCAHHKFMBMWWDJB-UHFFFAOYSA-N
MW358.44 g/mol
LogP-0.15
Rot. Bonds6

About 4-[2-(2-oxopyrrolidin-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide

4-[2-(2-oxopyrrolidin-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide (PubChem CID 110086526) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-[2-(2-oxopyrrolidin-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(2-oxopyrrolidin-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
PubChem CID110086526
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name4-[2-(2-oxopyrrolidin-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)CN2CCCC2=O)CCN1CCc1ccccc1
InChIInChI=1S/C19H26N4O3/c20-19(26)16-13-23(18(25)14-22-9-4-7-17(22)24)12-11-21(16)10-8-15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2,(H2,20,26)
InChIKeyCAHHKFMBMWWDJB-UHFFFAOYSA-N
XLogP-0.15
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-oxo-2-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]ethyl]pyrrolidin-2-one
CID 45218870
(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124956948
(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124956947
1-[2-oxo-2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 42216671
(2S)-4-(1-methyl-6-oxopyridine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124953550
(2R)-4-[3-(3-methylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124997614
4-(1-methyl-6-oxopyridazine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
CID 175658274
N-methyl-1-[2-(2-oxopyrrolidin-1-yl)acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 175658408
(2S)-4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 125020064
(2S)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 125004065
1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-4-carboxamide
CID 110689906
1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 106671974

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-oxopyrrolidin-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide?
The IUPAC name of 4-[2-(2-oxopyrrolidin-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide (CID 110086526) is 4-[2-(2-oxopyrrolidin-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide.
What is the SMILES notation for 4-[2-(2-oxopyrrolidin-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide?
The canonical SMILES for 4-[2-(2-oxopyrrolidin-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide is NC(=O)C1CN(C(=O)CN2CCCC2=O)CCN1CCc1ccccc1.
What is the InChIKey of 4-[2-(2-oxopyrrolidin-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide?
The InChIKey is CAHHKFMBMWWDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c20-19(26)16-13-23(18(25)14-22-9-4-7-17(22)24)12-11-21(16)10-8-15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2,(H2,20,26).
What are the key properties of 4-[2-(2-oxopyrrolidin-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide?
4-[2-(2-oxopyrrolidin-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide has a molecular weight of 358.44 g/mol, XLogP of -0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-oxopyrrolidin-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide is sourced from PubChem (CID 110086526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).