1-[2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one

C20H28N2O3 — CID 96574158

IUPAC1-[2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESCCOc1ccccc1C(=O)N1CCCC[C@@H]1CCN1CCCC1=O
InChIInChI=1S/C20H28N2O3/c1-2-25-18-10-4-3-9-17(18)20(24)22-14-6-5-8-16(22)12-15-21-13-7-11-19(21)23/h3-4,9-10,16H,2,5-8,11-15H2,1H3/t16-/m1/s1
InChIKeyHECZVAAXQCCHAL-MRXNPFEDSA-N
MW344.45 g/mol
LogP3.09
Rot. Bonds6

About 1-[2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one

1-[2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one (PubChem CID 96574158) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-[2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
PubChem CID96574158
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name1-[2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESCCOc1ccccc1C(=O)N1CCCC[C@@H]1CCN1CCCC1=O
InChIInChI=1S/C20H28N2O3/c1-2-25-18-10-4-3-9-17(18)20(24)22-14-6-5-8-16(22)12-15-21-13-7-11-19(21)23/h3-4,9-10,16H,2,5-8,11-15H2,1H3/t16-/m1/s1
InChIKeyHECZVAAXQCCHAL-MRXNPFEDSA-N
XLogP3.09
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethoxyphenyl)-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 95111716
[2-(2-bromoethyl)piperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 80665458
(2-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421165
(2-ethoxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63249422
[2-(3-bromopropyl)pyrrolidin-1-yl]-(2-ethoxyphenyl)methanone
CID 80675629
1-[2-[1-(2-fluoro-6-methoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70741060
1-[2-[1-(2-morpholin-4-ylbenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70772143
1-[2-[2-[(3aS,9aR)-4-methyl-3,3a,5,6,7,8,9,9a-octahydro-2H-pyrrolo[3,2-b]azocine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 110136351
1-[2-[1-(3-chloro-4-methoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70751833
(2-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83056508
[2-(2-aminoethyl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 63755191
2-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 56914578

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one (CID 96574158) is 1-[2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one is CCOc1ccccc1C(=O)N1CCCC[C@@H]1CCN1CCCC1=O.
What is the InChIKey of 1-[2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one?
The InChIKey is HECZVAAXQCCHAL-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-2-25-18-10-4-3-9-17(18)20(24)22-14-6-5-8-16(22)12-15-21-13-7-11-19(21)23/h3-4,9-10,16H,2,5-8,11-15H2,1H3/t16-/m1/s1.
What are the key properties of 1-[2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one?
1-[2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one has a molecular weight of 344.45 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 96574158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).