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

C21H35Cl2N3O3 — CID 120639874

IUPAC4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide;dihydrochloride
SMILESCOCC1(C(=O)NCC(c2ccccc2OC)N2CCCC2)CCNCC1.Cl.Cl
InChIInChI=1S/C21H33N3O3.2ClH/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);2*1H
InChIKeyCJMUCEKDFWMSGI-UHFFFAOYSA-N
MW448.44 g/mol
LogP2.81
Rot. Bonds8

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

4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 120639874) has the molecular formula C21H35Cl2N3O3 and a molecular weight of 448.44 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide;dihydrochloride
PubChem CID120639874
Molecular FormulaC21H35Cl2N3O3
Molecular Weight448.44 g/mol
Exact Mass447.21
IUPAC Name4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide;dihydrochloride
SMILESCOCC1(C(=O)NCC(c2ccccc2OC)N2CCCC2)CCNCC1.Cl.Cl
InChIInChI=1S/C21H33N3O3.2ClH/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);2*1H
InChIKeyCJMUCEKDFWMSGI-UHFFFAOYSA-N
XLogP2.81
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.44
LogP ≤ 52.81
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
CID 120639875
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
4-(methoxymethyl)-N-[2-(2-methoxyphenoxy)propyl]piperidine-4-carboxamide
CID 120636259
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119830716
2-(2-methoxyethylamino)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide;dihydrochloride
CID 119849351
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
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

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide;dihydrochloride (CID 120639874) is 4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide;dihydrochloride is COCC1(C(=O)NCC(c2ccccc2OC)N2CCCC2)CCNCC1.Cl.Cl.
What is the InChIKey of 4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is CJMUCEKDFWMSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3.2ClH/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);2*1H.
What are the key properties of 4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide;dihydrochloride?
4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 448.44 g/mol, XLogP of 2.81, 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;dihydrochloride is sourced from PubChem (CID 120639874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).