1-(2-methoxyphenyl)-4-[(4R)-4-pyrrolidin-1-ylpentanoyl]piperazin-2-one

C20H29N3O3 — CID 96578674

IUPAC1-(2-methoxyphenyl)-4-[(4R)-4-pyrrolidin-1-ylpentanoyl]piperazin-2-one
SMILESCOc1ccccc1N1CCN(C(=O)CC[C@@H](C)N2CCCC2)CC1=O
InChIInChI=1S/C20H29N3O3/c1-16(21-11-5-6-12-21)9-10-19(24)22-13-14-23(20(25)15-22)17-7-3-4-8-18(17)26-2/h3-4,7-8,16H,5-6,9-15H2,1-2H3/t16-/m1/s1
InChIKeySOASSVZGYBSILG-MRXNPFEDSA-N
MW359.47 g/mol
LogP2.13
Rot. Bonds6

About 1-(2-methoxyphenyl)-4-[(4R)-4-pyrrolidin-1-ylpentanoyl]piperazin-2-one

1-(2-methoxyphenyl)-4-[(4R)-4-pyrrolidin-1-ylpentanoyl]piperazin-2-one (PubChem CID 96578674) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[(4R)-4-pyrrolidin-1-ylpentanoyl]piperazin-2-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[(4R)-4-pyrrolidin-1-ylpentanoyl]piperazin-2-one
PubChem CID96578674
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-(2-methoxyphenyl)-4-[(4R)-4-pyrrolidin-1-ylpentanoyl]piperazin-2-one
SMILESCOc1ccccc1N1CCN(C(=O)CC[C@@H](C)N2CCCC2)CC1=O
InChIInChI=1S/C20H29N3O3/c1-16(21-11-5-6-12-21)9-10-19(24)22-13-14-23(20(25)15-22)17-7-3-4-8-18(17)26-2/h3-4,7-8,16H,5-6,9-15H2,1-2H3/t16-/m1/s1
InChIKeySOASSVZGYBSILG-MRXNPFEDSA-N
XLogP2.13
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)propanoyl]piperazin-2-one
CID 70726432
4-(2-ethoxyacetyl)-1-(2-methoxyphenyl)piperazin-2-one
CID 70778425
4-(4-amino-3-hydroxybutanoyl)-1-(2-methoxyphenyl)piperazin-2-one
CID 70748158
4-[3-(3,5-dimethylpyrazolidin-4-yl)propanoyl]-1-(2-methoxyphenyl)piperazin-2-one
CID 134064007
1-(2-methoxyphenyl)-4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-2-one
CID 97119292
4-[1-(azepan-1-yl)-1-oxopropan-2-yl]-1-(2-methoxyphenyl)piperazin-2-one
CID 70781583
1-(2-methoxyphenyl)-4-[(2S)-2-pyrrol-1-ylbutanoyl]piperazin-2-one
CID 96572015
1-(4-methylphenyl)-4-[(4S)-4-(4-methylpiperazin-1-yl)pentanoyl]piperazin-2-one
CID 96579737
4-[(2R)-2-(4-fluorophenyl)-2-hydroxyacetyl]-1-(2-methoxyphenyl)piperazin-2-one
CID 96576520
4-[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carbonyl]-1-(2-methoxyphenyl)piperazin-2-one
CID 70707671
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110688170
1-(2-chlorophenyl)-4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]piperazin-2-one
CID 70740982

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[(4R)-4-pyrrolidin-1-ylpentanoyl]piperazin-2-one?
The IUPAC name of 1-(2-methoxyphenyl)-4-[(4R)-4-pyrrolidin-1-ylpentanoyl]piperazin-2-one (CID 96578674) is 1-(2-methoxyphenyl)-4-[(4R)-4-pyrrolidin-1-ylpentanoyl]piperazin-2-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[(4R)-4-pyrrolidin-1-ylpentanoyl]piperazin-2-one?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[(4R)-4-pyrrolidin-1-ylpentanoyl]piperazin-2-one is COc1ccccc1N1CCN(C(=O)CC[C@@H](C)N2CCCC2)CC1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[(4R)-4-pyrrolidin-1-ylpentanoyl]piperazin-2-one?
The InChIKey is SOASSVZGYBSILG-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-16(21-11-5-6-12-21)9-10-19(24)22-13-14-23(20(25)15-22)17-7-3-4-8-18(17)26-2/h3-4,7-8,16H,5-6,9-15H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-(2-methoxyphenyl)-4-[(4R)-4-pyrrolidin-1-ylpentanoyl]piperazin-2-one?
1-(2-methoxyphenyl)-4-[(4R)-4-pyrrolidin-1-ylpentanoyl]piperazin-2-one has a molecular weight of 359.47 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[(4R)-4-pyrrolidin-1-ylpentanoyl]piperazin-2-one is sourced from PubChem (CID 96578674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).