1-[(2-ethoxy-3-pyridinyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide

C21H27N3O3 — CID 44761442

IUPAC1-[(2-ethoxy-3-pyridinyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
SMILESCCOc1ncccc1CN1CCCC(C(=O)Nc2cccc(OC)c2)C1
InChIInChI=1S/C21H27N3O3/c1-3-27-21-17(7-5-11-22-21)15-24-12-6-8-16(14-24)20(25)23-18-9-4-10-19(13-18)26-2/h4-5,7,9-11,13,16H,3,6,8,12,14-15H2,1-2H3,(H,23,25)
InChIKeyCFTXNQWIKCPTBI-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.34
Rot. Bonds7

About 1-[(2-ethoxy-3-pyridinyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide

1-[(2-ethoxy-3-pyridinyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide (PubChem CID 44761442) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[(2-ethoxy-3-pyridinyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-ethoxy-3-pyridinyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
PubChem CID44761442
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1-[(2-ethoxy-3-pyridinyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
SMILESCCOc1ncccc1CN1CCCC(C(=O)Nc2cccc(OC)c2)C1
InChIInChI=1S/C21H27N3O3/c1-3-27-21-17(7-5-11-22-21)15-24-12-6-8-16(14-24)20(25)23-18-9-4-10-19(13-18)26-2/h4-5,7,9-11,13,16H,3,6,8,12,14-15H2,1-2H3,(H,23,25)
InChIKeyCFTXNQWIKCPTBI-UHFFFAOYSA-N
XLogP3.34
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 43919659
(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
CID 25482833
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 43932819
1-[(2-chlorophenyl)methyl]-N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide
CID 43925362
1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 43919760
1-[(2-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 43919687
1-[(4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 24819389
1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43925323
1-[[4-(3-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]-N-methylpiperidine-3-carboxamide
CID 71016631
N-(2-ethoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43919757
N-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55678773
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-phenylethoxy)phenyl]piperidine-3-carboxamide
CID 43931121

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxy-3-pyridinyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(2-ethoxy-3-pyridinyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide (CID 44761442) is 1-[(2-ethoxy-3-pyridinyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-ethoxy-3-pyridinyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-ethoxy-3-pyridinyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide is CCOc1ncccc1CN1CCCC(C(=O)Nc2cccc(OC)c2)C1.
What is the InChIKey of 1-[(2-ethoxy-3-pyridinyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide?
The InChIKey is CFTXNQWIKCPTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-3-27-21-17(7-5-11-22-21)15-24-12-6-8-16(14-24)20(25)23-18-9-4-10-19(13-18)26-2/h4-5,7,9-11,13,16H,3,6,8,12,14-15H2,1-2H3,(H,23,25).
What are the key properties of 1-[(2-ethoxy-3-pyridinyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide?
1-[(2-ethoxy-3-pyridinyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxy-3-pyridinyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 44761442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).