2-methoxyethyl 4-[[(4-methoxyphenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-1-carboxylate

C23H29N3O5 — CID 126475457

IUPAC2-methoxyethyl 4-[[(4-methoxyphenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-1-carboxylate
SMILESCOCCOC(=O)N1CCC(C(=O)NC(c2ccc(OC)cc2)c2ccccn2)CC1
InChIInChI=1S/C23H29N3O5/c1-29-15-16-31-23(28)26-13-10-18(11-14-26)22(27)25-21(20-5-3-4-12-24-20)17-6-8-19(30-2)9-7-17/h3-9,12,18,21H,10-11,13-16H2,1-2H3,(H,25,27)
InChIKeyGSISASFGIRLQDW-UHFFFAOYSA-N
MW427.50 g/mol
LogP2.79
Rot. Bonds8

About 2-methoxyethyl 4-[[(4-methoxyphenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-1-carboxylate

2-methoxyethyl 4-[[(4-methoxyphenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 126475457) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-methoxyethyl 4-[[(4-methoxyphenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 4-[[(4-methoxyphenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-1-carboxylate
PubChem CID126475457
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC Name2-methoxyethyl 4-[[(4-methoxyphenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-1-carboxylate
SMILESCOCCOC(=O)N1CCC(C(=O)NC(c2ccc(OC)cc2)c2ccccn2)CC1
InChIInChI=1S/C23H29N3O5/c1-29-15-16-31-23(28)26-13-10-18(11-14-26)22(27)25-21(20-5-3-4-12-24-20)17-6-8-19(30-2)9-7-17/h3-9,12,18,21H,10-11,13-16H2,1-2H3,(H,25,27)
InChIKeyGSISASFGIRLQDW-UHFFFAOYSA-N
XLogP2.79
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-methoxyphenyl)acetyl]-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 126473165
ethyl 4-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]piperidine-1-carboxylate
CID 35939336
N-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 126475743
1-benzoyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 126471673
1-(2-phenoxyethyl)-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 137423471
N-[(S)-(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 137423495
N-[(S)-(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(3-phenoxypropyl)piperidine-4-carboxamide
CID 137423539
2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42907688
1-N-benzyl-4-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-1,4-dicarboxamide
CID 126475651
1-[2-(3-chlorophenoxy)ethyl]-N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
CID 137423514
(Z)-but-2-ene;N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(3-phenoxypropyl)piperidine-4-carboxamide;ethane
CID 145107795
2-[4-[[(4-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]piperidin-1-yl]-2-methylpropanoic acid
CID 121413267

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-[[(4-methoxyphenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of 2-methoxyethyl 4-[[(4-methoxyphenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-1-carboxylate (CID 126475457) is 2-methoxyethyl 4-[[(4-methoxyphenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for 2-methoxyethyl 4-[[(4-methoxyphenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for 2-methoxyethyl 4-[[(4-methoxyphenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-1-carboxylate is COCCOC(=O)N1CCC(C(=O)NC(c2ccc(OC)cc2)c2ccccn2)CC1.
What is the InChIKey of 2-methoxyethyl 4-[[(4-methoxyphenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is GSISASFGIRLQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-29-15-16-31-23(28)26-13-10-18(11-14-26)22(27)25-21(20-5-3-4-12-24-20)17-6-8-19(30-2)9-7-17/h3-9,12,18,21H,10-11,13-16H2,1-2H3,(H,25,27).
What are the key properties of 2-methoxyethyl 4-[[(4-methoxyphenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-1-carboxylate?
2-methoxyethyl 4-[[(4-methoxyphenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 427.50 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-[[(4-methoxyphenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 126475457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).