4-(methoxymethyl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide

C20H31N3O3 — CID 120645829

IUPAC4-(methoxymethyl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCC2CCN(c3cccc(OC)c3)C2)CCNCC1
InChIInChI=1S/C20H31N3O3/c1-25-15-20(7-9-21-10-8-20)19(24)22-13-16-6-11-23(14-16)17-4-3-5-18(12-17)26-2/h3-5,12,16,21H,6-11,13-15H2,1-2H3,(H,22,24)
InChIKeyPCTVKOPJWSGIIN-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.65
Rot. Bonds7

About 4-(methoxymethyl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide

4-(methoxymethyl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide (PubChem CID 120645829) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
PubChem CID120645829
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name4-(methoxymethyl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCC2CCN(c3cccc(OC)c3)C2)CCNCC1
InChIInChI=1S/C20H31N3O3/c1-25-15-20(7-9-21-10-8-20)19(24)22-13-16-6-11-23(14-16)17-4-3-5-18(12-17)26-2/h3-5,12,16,21H,6-11,13-15H2,1-2H3,(H,22,24)
InChIKeyPCTVKOPJWSGIIN-UHFFFAOYSA-N
XLogP1.65
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119871042
N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-piperidin-4-ylbutanamide
CID 119871037
3,3-dicyclopropyl-N-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]prop-2-enamide
CID 94821491
(2S)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 122081483
1-(dicyclopropylmethyl)-3-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 95300449
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 119871027
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(2-methylphenyl)acetamide
CID 95296545
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-propylsulfanylacetamide
CID 95285621
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide;dihydrochloride
CID 119871026
(2R)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119870988
1-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(2-methylphenyl)urea
CID 95157772
(3R)-3-(hydroxymethyl)-N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-1-carboxamide
CID 98763526

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide (CID 120645829) is 4-(methoxymethyl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide is COCC1(C(=O)NCC2CCN(c3cccc(OC)c3)C2)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide?
The InChIKey is PCTVKOPJWSGIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-25-15-20(7-9-21-10-8-20)19(24)22-13-16-6-11-23(14-16)17-4-3-5-18(12-17)26-2/h3-5,12,16,21H,6-11,13-15H2,1-2H3,(H,22,24).
What are the key properties of 4-(methoxymethyl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide?
4-(methoxymethyl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 120645829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).