methyl 1-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate

C20H28N2O4 — CID 51470159

IUPACmethyl 1-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CN2CCC[C@H]2c2cccc(OC)c2)CC1
InChIInChI=1S/C20H28N2O4/c1-25-17-6-3-5-16(13-17)18-7-4-10-22(18)14-19(23)21-11-8-15(9-12-21)20(24)26-2/h3,5-6,13,15,18H,4,7-12,14H2,1-2H3/t18-/m0/s1
InChIKeyKOCDPNCMNJFGST-SFHVURJKSA-N
MW360.45 g/mol
LogP2.24
Rot. Bonds5

About methyl 1-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate

methyl 1-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate (PubChem CID 51470159) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is methyl 1-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
PubChem CID51470159
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Namemethyl 1-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CN2CCC[C@H]2c2cccc(OC)c2)CC1
InChIInChI=1S/C20H28N2O4/c1-25-17-6-3-5-16(13-17)18-7-4-10-22(18)14-19(23)21-11-8-15(9-12-21)20(24)26-2/h3,5-6,13,15,18H,4,7-12,14H2,1-2H3/t18-/m0/s1
InChIKeyKOCDPNCMNJFGST-SFHVURJKSA-N
XLogP2.24
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate with MolForge

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Related Compounds

1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 100849850
ethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate
CID 51075197
ethyl (2S)-1-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-2-carboxylate
CID 124822735
ethyl (2R)-1-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-2-carboxylate
CID 124822736
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 86916010
methyl 1-[2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 47054026
3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid
CID 124688481
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
methyl 3-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzoate
CID 56906374
N-(ethylcarbamoyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 41415749
3-[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]propanoic acid
CID 95716440
cyclopropyl-[4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 55526600

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate (CID 51470159) is methyl 1-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)CN2CCC[C@H]2c2cccc(OC)c2)CC1.
What is the InChIKey of methyl 1-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate?
The InChIKey is KOCDPNCMNJFGST-SFHVURJKSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-25-17-6-3-5-16(13-17)18-7-4-10-22(18)14-19(23)21-11-8-15(9-12-21)20(24)26-2/h3,5-6,13,15,18H,4,7-12,14H2,1-2H3/t18-/m0/s1.
What are the key properties of methyl 1-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate?
methyl 1-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate has a molecular weight of 360.45 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 51470159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).