6-(4-ethylphenyl)-1-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

C23H29N3O3 — CID 46065283

IUPAC6-(4-ethylphenyl)-1-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESCCc1ccc(C2CCC(C(=O)NCc3cccnc3)CN2C(=O)COC)cc1
InChIInChI=1S/C23H29N3O3/c1-3-17-6-8-19(9-7-17)21-11-10-20(15-26(21)22(27)16-29-2)23(28)25-14-18-5-4-12-24-13-18/h4-9,12-13,20-21H,3,10-11,14-16H2,1-2H3,(H,25,28)
InChIKeyUUFHOXJDZQYSMK-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.89
Rot. Bonds7

About 6-(4-ethylphenyl)-1-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

6-(4-ethylphenyl)-1-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 46065283) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-1-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name6-(4-ethylphenyl)-1-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID46065283
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name6-(4-ethylphenyl)-1-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESCCc1ccc(C2CCC(C(=O)NCc3cccnc3)CN2C(=O)COC)cc1
InChIInChI=1S/C23H29N3O3/c1-3-17-6-8-19(9-7-17)21-11-10-20(15-26(21)22(27)16-29-2)23(28)25-14-18-5-4-12-24-13-18/h4-9,12-13,20-21H,3,10-11,14-16H2,1-2H3,(H,25,28)
InChIKeyUUFHOXJDZQYSMK-UHFFFAOYSA-N
XLogP2.89
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-fluorophenyl)-1-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 46041524
6-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 42849482
1-N-butyl-6-(4-fluorophenyl)-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 46041651
6-(4-ethylphenyl)-1-(2-methoxyacetyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 42865313
(3S,6R)-1-N-ethyl-6-(4-fluoro-3-methylphenyl)-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 92996998
(3R,6R)-1-N-ethyl-6-(4-fluoro-3-methylphenyl)-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 92996997
(3R,5S)-1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 92995377
6-(3-methylphenyl)-1-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 42849641
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
N-cyclopropyl-1-(2-methoxyacetyl)-6-phenylpiperidine-3-carboxamide
CID 42849448
1-(cyclopropanecarbonyl)-6-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 71955066
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-1-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 6-(4-ethylphenyl)-1-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 46065283) is 6-(4-ethylphenyl)-1-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 6-(4-ethylphenyl)-1-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 6-(4-ethylphenyl)-1-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is CCc1ccc(C2CCC(C(=O)NCc3cccnc3)CN2C(=O)COC)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-1-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is UUFHOXJDZQYSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-3-17-6-8-19(9-7-17)21-11-10-20(15-26(21)22(27)16-29-2)23(28)25-14-18-5-4-12-24-13-18/h4-9,12-13,20-21H,3,10-11,14-16H2,1-2H3,(H,25,28).
What are the key properties of 6-(4-ethylphenyl)-1-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
6-(4-ethylphenyl)-1-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-1-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 46065283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).