(4R)-1-methyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]pyrrolidin-2-one

C18H25N3O2 — CID 94092841

IUPAC(4R)-1-methyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCN1C[C@H](C(=O)N2CCN(CCc3ccccc3)CC2)CC1=O
InChIInChI=1S/C18H25N3O2/c1-19-14-16(13-17(19)22)18(23)21-11-9-20(10-12-21)8-7-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3/t16-/m1/s1
InChIKeyZJNVRIRSWBRUGE-MRXNPFEDSA-N
MW315.42 g/mol
LogP0.85
Rot. Bonds4

About (4R)-1-methyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]pyrrolidin-2-one

(4R)-1-methyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 94092841) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (4R)-1-methyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-methyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID94092841
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(4R)-1-methyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCN1C[C@H](C(=O)N2CCN(CCc3ccccc3)CC2)CC1=O
InChIInChI=1S/C18H25N3O2/c1-19-14-16(13-17(19)22)18(23)21-11-9-20(10-12-21)8-7-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3/t16-/m1/s1
InChIKeyZJNVRIRSWBRUGE-MRXNPFEDSA-N
XLogP0.85
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(4-benzyl-1,4-diazepane-1-carbonyl)-1-methylpyrrolidin-2-one
CID 94092803
1-methyl-4-[4-(2-phenylethoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 75462351
4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 56544561
2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetic acid
CID 43521272
(4R)-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 35697880
(4R)-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 94092850
4-(4-phenylpiperazine-1-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one
CID 113185297
(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 51937420
4-[4-(2-methylphenyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 53181871
4-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 63655372
(4R)-4-[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 51565884
N-(4-methylphenyl)-2-[4-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide
CID 40987622

Frequently Asked Questions

What is the IUPAC name of (4R)-1-methyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-methyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 94092841) is (4R)-1-methyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-methyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-methyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]pyrrolidin-2-one is CN1C[C@H](C(=O)N2CCN(CCc3ccccc3)CC2)CC1=O.
What is the InChIKey of (4R)-1-methyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is ZJNVRIRSWBRUGE-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-19-14-16(13-17(19)22)18(23)21-11-9-20(10-12-21)8-7-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3/t16-/m1/s1.
What are the key properties of (4R)-1-methyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-methyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 315.42 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-methyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 94092841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).