(3R)-3-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyrrolidin-2-one

C17H23N3O2 — CID 97070329

IUPAC(3R)-3-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyrrolidin-2-one
SMILESCc1ccc(CC(=O)N2CCN([C@@H]3CCNC3=O)CC2)cc1
InChIInChI=1S/C17H23N3O2/c1-13-2-4-14(5-3-13)12-16(21)20-10-8-19(9-11-20)15-6-7-18-17(15)22/h2-5,15H,6-12H2,1H3,(H,18,22)/t15-/m1/s1
InChIKeyANMARJAOIVQAFS-OAHLLOKOSA-N
MW301.39 g/mol
LogP0.57
Rot. Bonds3

About (3R)-3-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyrrolidin-2-one

(3R)-3-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyrrolidin-2-one (PubChem CID 97070329) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (3R)-3-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyrrolidin-2-one
PubChem CID97070329
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(3R)-3-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyrrolidin-2-one
SMILESCc1ccc(CC(=O)N2CCN([C@@H]3CCNC3=O)CC2)cc1
InChIInChI=1S/C17H23N3O2/c1-13-2-4-14(5-3-13)12-16(21)20-10-8-19(9-11-20)15-6-7-18-17(15)22/h2-5,15H,6-12H2,1H3,(H,18,22)/t15-/m1/s1
InChIKeyANMARJAOIVQAFS-OAHLLOKOSA-N
XLogP0.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
CID 119314457
(3S)-3-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one
CID 97342876
2-(4-methylphenyl)-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]ethanone
CID 119314469
1-[4-(chloromethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63397980
N,N-dimethyl-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide
CID 110365768
1-[4-[2-(methylamino)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 119767898
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 43416163
3-amino-1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]butan-1-one
CID 119767921
(3S)-3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]azepan-2-one
CID 95778162
4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one
CID 110420024
2-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-4-one
CID 53165271
1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110666254

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of (3R)-3-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyrrolidin-2-one (CID 97070329) is (3R)-3-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for (3R)-3-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyrrolidin-2-one is Cc1ccc(CC(=O)N2CCN([C@@H]3CCNC3=O)CC2)cc1.
What is the InChIKey of (3R)-3-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is ANMARJAOIVQAFS-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13-2-4-14(5-3-13)12-16(21)20-10-8-19(9-11-20)15-6-7-18-17(15)22/h2-5,15H,6-12H2,1H3,(H,18,22)/t15-/m1/s1.
What are the key properties of (3R)-3-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyrrolidin-2-one?
(3R)-3-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 301.39 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 97070329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).