(4R)-4-(4-ethylpiperazine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one

C19H27N3O3 — CID 93017942

IUPAC(4R)-4-(4-ethylpiperazine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCCN1CCN(C(=O)[C@@H]2CC(=O)N(Cc3cccc(OC)c3)C2)CC1
InChIInChI=1S/C19H27N3O3/c1-3-20-7-9-21(10-8-20)19(24)16-12-18(23)22(14-16)13-15-5-4-6-17(11-15)25-2/h4-6,11,16H,3,7-10,12-14H2,1-2H3/t16-/m1/s1
InChIKeyYLMLKTVRDLPERF-MRXNPFEDSA-N
MW345.44 g/mol
LogP1.21
Rot. Bonds5

About (4R)-4-(4-ethylpiperazine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one

(4R)-4-(4-ethylpiperazine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 93017942) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (4R)-4-(4-ethylpiperazine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(4-ethylpiperazine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID93017942
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(4R)-4-(4-ethylpiperazine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCCN1CCN(C(=O)[C@@H]2CC(=O)N(Cc3cccc(OC)c3)C2)CC1
InChIInChI=1S/C19H27N3O3/c1-3-20-7-9-21(10-8-20)19(24)16-12-18(23)22(14-16)13-15-5-4-6-17(11-15)25-2/h4-6,11,16H,3,7-10,12-14H2,1-2H3/t16-/m1/s1
InChIKeyYLMLKTVRDLPERF-MRXNPFEDSA-N
XLogP1.21
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-1-[(3-methoxyphenyl)methyl]-4-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 93017912
(3S)-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9146852
(4-ethylpiperazin-1-yl)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 795804
5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 24790814
(4R)-1-ethyl-4-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 94093428
(4S)-1-[(3-methoxyphenyl)methyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 93017947
N-benzyl-1-[(3-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46109759
azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3796866
phenyl 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 108568580
1-benzyl-4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 42997864
1-ethyl-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 72837378
(5R)-1-cyclopentyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-2-one
CID 29152851

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-ethylpiperazine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-(4-ethylpiperazine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one (CID 93017942) is (4R)-4-(4-ethylpiperazine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(4-ethylpiperazine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(4-ethylpiperazine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one is CCN1CCN(C(=O)[C@@H]2CC(=O)N(Cc3cccc(OC)c3)C2)CC1.
What is the InChIKey of (4R)-4-(4-ethylpiperazine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is YLMLKTVRDLPERF-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-20-7-9-21(10-8-20)19(24)16-12-18(23)22(14-16)13-15-5-4-6-17(11-15)25-2/h4-6,11,16H,3,7-10,12-14H2,1-2H3/t16-/m1/s1.
What are the key properties of (4R)-4-(4-ethylpiperazine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one?
(4R)-4-(4-ethylpiperazine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 345.44 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-ethylpiperazine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 93017942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).