1-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one

C18H27N3O3 — CID 23584732

IUPAC1-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
SMILESCOc1cccc(N2CCN(CC(O)CN3CCCC3=O)CC2)c1
InChIInChI=1S/C18H27N3O3/c1-24-17-5-2-4-15(12-17)20-10-8-19(9-11-20)13-16(22)14-21-7-3-6-18(21)23/h2,4-5,12,16,22H,3,6-11,13-14H2,1H3
InChIKeyBIADIMZHYJTZMQ-UHFFFAOYSA-N
MW333.43 g/mol
LogP0.80
Rot. Bonds6

About 1-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one

1-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one (PubChem CID 23584732) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
PubChem CID23584732
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
SMILESCOc1cccc(N2CCN(CC(O)CN3CCCC3=O)CC2)c1
InChIInChI=1S/C18H27N3O3/c1-24-17-5-2-4-15(12-17)20-10-8-19(9-11-20)13-16(22)14-21-7-3-6-18(21)23/h2,4-5,12,16,22H,3,6-11,13-14H2,1H3
InChIKeyBIADIMZHYJTZMQ-UHFFFAOYSA-N
XLogP0.80
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-(4-(2-Methoxyphenyl)-1-piperazinyl)butyl)-2,5-pyrrolidinedione
CID 3994476
N-{2-[(3-Methoxyphenyl)-phenylamino]ethyl}butanamide
CID 24750071
4-Morpholineacetamide, N-(3-methoxyphenyl)-
CID 218187
N-(3,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 719564
1-Ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2950914
N-(3-methoxyphenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide
CID 4880688
1-(4-Methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 6460167
N-(3-Methoxy-phenyl)-3-morpholin-4-yl-propionamide
CID 24747003
3-{4-[4-(3-Methoxy-phenyl)-piperazin-1-yl]-butyl}-thiazolidin-4-one
CID 10569822
N-methyl-N-{2-[(3-methoxyphenyl)-phenylamino]ethyl}acetamide
CID 24750195
N-[(S)-1-(3-Methoxy-phenyl)-pyrrolidin-3-yl]-butyramide
CID 25270146
5-Hexyl-3-(3-methoxyphenyl)oxazolidin-2-one
CID 44155316

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one (CID 23584732) is 1-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one is COc1cccc(N2CCN(CC(O)CN3CCCC3=O)CC2)c1.
What is the InChIKey of 1-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one?
The InChIKey is BIADIMZHYJTZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-24-17-5-2-4-15(12-17)20-10-8-19(9-11-20)13-16(22)14-21-7-3-6-18(21)23/h2,4-5,12,16,22H,3,6-11,13-14H2,1H3.
What are the key properties of 1-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one?
1-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one has a molecular weight of 333.43 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 23584732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).