1-[2-[2-[(3R)-3-(quinolin-5-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one

C28H31N3O3 — CID 129458474

IUPAC1-[2-[2-[(3R)-3-(quinolin-5-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1ccccc1C(=O)N1CCC[C@H](Cc2cccc3ncccc23)C1
InChIInChI=1S/C28H31N3O3/c32-27-13-6-15-30(27)17-18-34-26-12-2-1-9-24(26)28(33)31-16-5-7-21(20-31)19-22-8-3-11-25-23(22)10-4-14-29-25/h1-4,8-12,14,21H,5-7,13,15-20H2/t21-/m1/s1
InChIKeyUAYSNSFVFMPECR-OAQYLSRUSA-N
MW457.57 g/mol
LogP4.33
Rot. Bonds7

About 1-[2-[2-[(3R)-3-(quinolin-5-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one

1-[2-[2-[(3R)-3-(quinolin-5-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one (PubChem CID 129458474) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is 1-[2-[2-[(3R)-3-(quinolin-5-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[(3R)-3-(quinolin-5-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
PubChem CID129458474
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC Name1-[2-[2-[(3R)-3-(quinolin-5-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1ccccc1C(=O)N1CCC[C@H](Cc2cccc3ncccc23)C1
InChIInChI=1S/C28H31N3O3/c32-27-13-6-15-30(27)17-18-34-26-12-2-1-9-24(26)28(33)31-16-5-7-21(20-31)19-22-8-3-11-25-23(22)10-4-14-29-25/h1-4,8-12,14,21H,5-7,13,15-20H2/t21-/m1/s1
InChIKeyUAYSNSFVFMPECR-OAQYLSRUSA-N
XLogP4.33
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[2-[(3R)-3-(quinolin-5-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[2-[3-(quinolin-5-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 132773003
1-[2-[3-[4-(quinolin-4-ylmethyl)azepane-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 110150268
(2-methoxy-3-pyridinyl)-[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124982563
1-[2-[3-[3-(quinolin-8-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 132773007
1-[2-[2-[6-(1H-indazol-4-ylmethyl)-1,4-oxazepane-4-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 132773172
1-[2-[2-[(6S)-6-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,4-oxazepane-4-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 124990112
(3-pyrimidin-2-yloxyphenyl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 110149381
(5-methylpyrazin-2-yl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 175652174
[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 124967130
(4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124951283
[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 125024184
1-[2-[2-[3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 132779090

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(3R)-3-(quinolin-5-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[2-[(3R)-3-(quinolin-5-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one (CID 129458474) is 1-[2-[2-[(3R)-3-(quinolin-5-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-[(3R)-3-(quinolin-5-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-[(3R)-3-(quinolin-5-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one is O=C1CCCN1CCOc1ccccc1C(=O)N1CCC[C@H](Cc2cccc3ncccc23)C1.
What is the InChIKey of 1-[2-[2-[(3R)-3-(quinolin-5-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one?
The InChIKey is UAYSNSFVFMPECR-OAQYLSRUSA-N. The full InChI is InChI=1S/C28H31N3O3/c32-27-13-6-15-30(27)17-18-34-26-12-2-1-9-24(26)28(33)31-16-5-7-21(20-31)19-22-8-3-11-25-23(22)10-4-14-29-25/h1-4,8-12,14,21H,5-7,13,15-20H2/t21-/m1/s1.
What are the key properties of 1-[2-[2-[(3R)-3-(quinolin-5-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one?
1-[2-[2-[(3R)-3-(quinolin-5-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one has a molecular weight of 457.57 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(3R)-3-(quinolin-5-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 129458474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).