4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide

C21H33N3O3 — CID 120639875

IUPAC4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCC(c2ccccc2OC)N2CCCC2)CCNCC1
InChIInChI=1S/C21H33N3O3/c1-26-16-21(9-11-22-12-10-21)20(25)23-15-18(24-13-5-6-14-24)17-7-3-4-8-19(17)27-2/h3-4,7-8,18,22H,5-6,9-16H2,1-2H3,(H,23,25)
InChIKeyNAFPKCLIZGOMSS-UHFFFAOYSA-N
MW375.51 g/mol
LogP1.96
Rot. Bonds8

About 4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide

4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide (PubChem CID 120639875) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
PubChem CID120639875
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCC(c2ccccc2OC)N2CCCC2)CCNCC1
InChIInChI=1S/C21H33N3O3/c1-26-16-21(9-11-22-12-10-21)20(25)23-15-18(24-13-5-6-14-24)17-7-3-4-8-19(17)27-2/h3-4,7-8,18,22H,5-6,9-16H2,1-2H3,(H,23,25)
InChIKeyNAFPKCLIZGOMSS-UHFFFAOYSA-N
XLogP1.96
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide;dihydrochloride
CID 120639874
1-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119849343
4-(aminomethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]oxane-4-carboxamide
CID 120937948
1-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-N',1-N'-dimethylcyclopropane-1,1-dicarboxamide
CID 100728103
1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 17497858
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(methylamino)acetamide
CID 120703941
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119830716
4-(methoxymethyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 120639717
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclobutanecarboxamide
CID 30522180
N-[2-(2,3-dihydroindol-1-yl)propyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120644013
2-(2-methoxyethylamino)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide;dihydrochloride
CID 119849351
N-[2-[[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 34937128

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide (CID 120639875) is 4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide is COCC1(C(=O)NCC(c2ccccc2OC)N2CCCC2)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide?
The InChIKey is NAFPKCLIZGOMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-26-16-21(9-11-22-12-10-21)20(25)23-15-18(24-13-5-6-14-24)17-7-3-4-8-19(17)27-2/h3-4,7-8,18,22H,5-6,9-16H2,1-2H3,(H,23,25).
What are the key properties of 4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide?
4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide has a molecular weight of 375.51 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 120639875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).