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

C21H30N2O4 — CID 47054026

IUPACmethyl 1-[2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CN2CCCC2Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C21H30N2O4/c1-26-19-7-5-16(6-8-19)14-18-4-3-11-23(18)15-20(24)22-12-9-17(10-13-22)21(25)27-2/h5-8,17-18H,3-4,9-15H2,1-2H3
InChIKeyUSZCPEDFWRDADD-UHFFFAOYSA-N
MW374.48 g/mol
LogP2.11
Rot. Bonds6

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

methyl 1-[2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate (PubChem CID 47054026) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is methyl 1-[2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
PubChem CID47054026
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Namemethyl 1-[2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CN2CCCC2Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C21H30N2O4/c1-26-19-7-5-16(6-8-19)14-18-4-3-11-23(18)15-20(24)22-12-9-17(10-13-22)21(25)27-2/h5-8,17-18H,3-4,9-15H2,1-2H3
InChIKeyUSZCPEDFWRDADD-UHFFFAOYSA-N
XLogP2.11
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetamide
CID 47280768
methyl 1-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 51470159
2-[(2S)-2-benzylpyrrolidin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
CID 124838955
methyl 1-[N-[(4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111253577
(2S)-N-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 94447591
methyl 1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate
CID 47006242
methyl 3-cyano-3-[2-[(4-methoxyphenyl)methyl]azetidin-1-yl]cyclobutane-1-carboxylate
CID 176564956
methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 113219904
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 78942403
1-[2-(4-methoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 46420386
methyl 1-[2-(4-propylphenoxy)acetyl]piperidine-4-carboxylate
CID 108754998
methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride
CID 14181476

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate (CID 47054026) is methyl 1-[2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)CN2CCCC2Cc2ccc(OC)cc2)CC1.
What is the InChIKey of methyl 1-[2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate?
The InChIKey is USZCPEDFWRDADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-26-19-7-5-16(6-8-19)14-18-4-3-11-23(18)15-20(24)22-12-9-17(10-13-22)21(25)27-2/h5-8,17-18H,3-4,9-15H2,1-2H3.
What are the key properties of methyl 1-[2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate?
methyl 1-[2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate has a molecular weight of 374.48 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 47054026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).