N-cyclopropyl-2-[4-[5-oxo-1-(2-phenylethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide

C22H30N4O3 — CID 78810208

IUPACN-cyclopropyl-2-[4-[5-oxo-1-(2-phenylethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)C2CC(=O)N(CCc3ccccc3)C2)CC1)NC1CC1
InChIInChI=1S/C22H30N4O3/c27-20(23-19-6-7-19)16-24-10-12-25(13-11-24)22(29)18-14-21(28)26(15-18)9-8-17-4-2-1-3-5-17/h1-5,18-19H,6-16H2,(H,23,27)
InChIKeyBSOVCFSDEAENJV-UHFFFAOYSA-N
MW398.51 g/mol
LogP0.50
Rot. Bonds7

About N-cyclopropyl-2-[4-[5-oxo-1-(2-phenylethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-[5-oxo-1-(2-phenylethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide (PubChem CID 78810208) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[5-oxo-1-(2-phenylethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[5-oxo-1-(2-phenylethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide
PubChem CID78810208
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-cyclopropyl-2-[4-[5-oxo-1-(2-phenylethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)C2CC(=O)N(CCc3ccccc3)C2)CC1)NC1CC1
InChIInChI=1S/C22H30N4O3/c27-20(23-19-6-7-19)16-24-10-12-25(13-11-24)22(29)18-14-21(28)26(15-18)9-8-17-4-2-1-3-5-17/h1-5,18-19H,6-16H2,(H,23,27)
InChIKeyBSOVCFSDEAENJV-UHFFFAOYSA-N
XLogP0.50
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-2-[4-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide
CID 40987622
(3R)-N-cyclopropyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51373179
4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 56544561
(4R)-4-[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 51565884
1-(2-phenylethyl)-4-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 51262946
(4R)-4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 39911499
N-(1-benzylpiperidin-4-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 53181864
4-[4-(2-methylphenyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 53181871
4-(4-benzylpiperidine-1-carbonyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one
CID 15996954
(4R)-1-methyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 94092841
1-(2-phenylethyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 51143749
N-cyclopropyl-2-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]acetamide
CID 56893950

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[5-oxo-1-(2-phenylethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[5-oxo-1-(2-phenylethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide (CID 78810208) is N-cyclopropyl-2-[4-[5-oxo-1-(2-phenylethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[5-oxo-1-(2-phenylethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[5-oxo-1-(2-phenylethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)C2CC(=O)N(CCc3ccccc3)C2)CC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[5-oxo-1-(2-phenylethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide?
The InChIKey is BSOVCFSDEAENJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c27-20(23-19-6-7-19)16-24-10-12-25(13-11-24)22(29)18-14-21(28)26(15-18)9-8-17-4-2-1-3-5-17/h1-5,18-19H,6-16H2,(H,23,27).
What are the key properties of N-cyclopropyl-2-[4-[5-oxo-1-(2-phenylethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-[5-oxo-1-(2-phenylethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide has a molecular weight of 398.51 g/mol, XLogP of 0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[5-oxo-1-(2-phenylethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 78810208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).