6-methoxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one

C18H26N2O3 — CID 11045378

IUPAC6-methoxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one
SMILESCOC1CCCC(=O)N1N1CCC[C@H]1COCc1ccccc1
InChIInChI=1S/C18H26N2O3/c1-22-18-11-5-10-17(21)20(18)19-12-6-9-16(19)14-23-13-15-7-3-2-4-8-15/h2-4,7-8,16,18H,5-6,9-14H2,1H3/t16-,18?/m0/s1
InChIKeyKKOKYDBSBUOFCA-ATNAJCNCSA-N
MW318.42 g/mol
LogP2.57
Rot. Bonds6

About 6-methoxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one

6-methoxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one (PubChem CID 11045378) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 6-methoxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one.

Molecular Properties

Compound Name6-methoxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one
PubChem CID11045378
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name6-methoxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one
SMILESCOC1CCCC(=O)N1N1CCC[C@H]1COCc1ccccc1
InChIInChI=1S/C18H26N2O3/c1-22-18-11-5-10-17(21)20(18)19-12-6-9-16(19)14-23-13-15-7-3-2-4-8-15/h2-4,7-8,16,18H,5-6,9-14H2,1H3/t16-,18?/m0/s1
InChIKeyKKOKYDBSBUOFCA-ATNAJCNCSA-N
XLogP2.57
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-[(1E)-3-(morpholin-4-yl)prop-1-en-1-yl]pyrrolidine-1-carboxylate
CID 6373779
Benzyl 1-acetyl-2-ethylpyrrolidine-2-carboxylate
CID 46884562
N-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-2-phenylmethoxyacetamide
CID 56806025
Benzyl 2-(piperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 6481457
3-Methylidene-1-(2-phenylmethoxyethyl)piperidin-2-one
CID 10847959
1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidine-2,6-dione
CID 10902727
6-hydroxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one
CID 134877097
8-[2-(Benzyloxy)ethyl]-2,8-diazaspiro[4.5]decan-3-one
CID 50961229
1-[2-[2-(4-Fluorophenyl)morpholine-4-carbonyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 53557703
1-[3-oxo-3-[(3S)-3-phenylmethoxypiperidin-1-yl]propyl]pyrrolidin-2-one
CID 97937436
2-methyl-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]propan-1-one
CID 164639715
benzyl 4-[(1S)-2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-1-fluoro-2-oxoethyl]piperidine-1-carboxylate
CID 121438706

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one?
The IUPAC name of 6-methoxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one (CID 11045378) is 6-methoxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one.
What is the SMILES notation for 6-methoxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one?
The canonical SMILES for 6-methoxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one is COC1CCCC(=O)N1N1CCC[C@H]1COCc1ccccc1.
What is the InChIKey of 6-methoxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one?
The InChIKey is KKOKYDBSBUOFCA-ATNAJCNCSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-22-18-11-5-10-17(21)20(18)19-12-6-9-16(19)14-23-13-15-7-3-2-4-8-15/h2-4,7-8,16,18H,5-6,9-14H2,1H3/t16-,18?/m0/s1.
What are the key properties of 6-methoxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one?
6-methoxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one has a molecular weight of 318.42 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one is sourced from PubChem (CID 11045378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).