ethyl 1-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrole-2-carbonyl]piperidine-3-carboxylate

C27H37N3O5 — CID 42789754

IUPACethyl 1-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrole-2-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2c(C)c(N3CCOCC3)c(C)n2Cc2cccc(OC)c2)C1
InChIInChI=1S/C27H37N3O5/c1-5-35-27(32)22-9-7-11-29(18-22)26(31)25-19(2)24(28-12-14-34-15-13-28)20(3)30(25)17-21-8-6-10-23(16-21)33-4/h6,8,10,16,22H,5,7,9,11-15,17-18H2,1-4H3
InChIKeyJKZIKYPHZYXZRF-UHFFFAOYSA-N
MW483.61 g/mol
LogP3.41
Rot. Bonds7

About ethyl 1-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrole-2-carbonyl]piperidine-3-carboxylate

ethyl 1-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrole-2-carbonyl]piperidine-3-carboxylate (PubChem CID 42789754) has the molecular formula C27H37N3O5 and a molecular weight of 483.61 g/mol. Its IUPAC name is ethyl 1-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrole-2-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrole-2-carbonyl]piperidine-3-carboxylate
PubChem CID42789754
Molecular FormulaC27H37N3O5
Molecular Weight483.61 g/mol
Exact Mass483.27
IUPAC Nameethyl 1-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrole-2-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2c(C)c(N3CCOCC3)c(C)n2Cc2cccc(OC)c2)C1
InChIInChI=1S/C27H37N3O5/c1-5-35-27(32)22-9-7-11-29(18-22)26(31)25-19(2)24(28-12-14-34-15-13-28)20(3)30(25)17-21-8-6-10-23(16-21)33-4/h6,8,10,16,22H,5,7,9,11-15,17-18H2,1-4H3
InChIKeyJKZIKYPHZYXZRF-UHFFFAOYSA-N
XLogP3.41
TPSA73.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrole-2-carbonyl]piperidine-3-carboxylate with MolForge

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Related Compounds

[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrol-2-yl]-morpholin-4-ylmethanone
CID 42789748
ethyl 1-[1-[(3-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindole-2-carbonyl]piperidine-3-carboxylate
CID 42810133
1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide
CID 42789760
[3,5-dimethyl-1-[(3-methylphenyl)methyl]-4-morpholin-4-ylpyrrol-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7206005
[1-[(3-methoxyphenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone
CID 42789667
ethyl 4-[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrole-2-carbonyl]piperazine-1-carboxylate
CID 42789701
azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3796866
ethyl (3R)-1-[3-[(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]benzoyl]piperidine-3-carboxylate
CID 93147991
ethyl (3S)-1-(2,6-dimethylbenzoyl)piperidine-3-carboxylate
CID 103783546
ethyl (3R)-1-(2,3-dimethylbenzoyl)piperidine-3-carboxylate
CID 81338799
ethyl (3R)-1-(3-chloro-2-methylbenzoyl)piperidine-3-carboxylate
CID 107098532
ethyl 1-[3-(3-methoxyphenyl)-2-(5-methyltetrazol-1-yl)propanoyl]piperidine-3-carboxylate
CID 47038973

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrole-2-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrole-2-carbonyl]piperidine-3-carboxylate (CID 42789754) is ethyl 1-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrole-2-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrole-2-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrole-2-carbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2c(C)c(N3CCOCC3)c(C)n2Cc2cccc(OC)c2)C1.
What is the InChIKey of ethyl 1-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrole-2-carbonyl]piperidine-3-carboxylate?
The InChIKey is JKZIKYPHZYXZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O5/c1-5-35-27(32)22-9-7-11-29(18-22)26(31)25-19(2)24(28-12-14-34-15-13-28)20(3)30(25)17-21-8-6-10-23(16-21)33-4/h6,8,10,16,22H,5,7,9,11-15,17-18H2,1-4H3.
What are the key properties of ethyl 1-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrole-2-carbonyl]piperidine-3-carboxylate?
ethyl 1-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrole-2-carbonyl]piperidine-3-carboxylate has a molecular weight of 483.61 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrole-2-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 42789754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).