5-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide

C25H33N3O3 — CID 86890205

IUPAC5-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide
SMILESCCOc1ccc(CCC2CCN(C(=O)c3ccc(C(=O)N(C)C)nc3C)CC2)cc1
InChIInChI=1S/C25H33N3O3/c1-5-31-21-10-8-19(9-11-21)6-7-20-14-16-28(17-15-20)24(29)22-12-13-23(26-18(22)2)25(30)27(3)4/h8-13,20H,5-7,14-17H2,1-4H3
InChIKeyQJLRTEWPVPZTJQ-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.98
Rot. Bonds7

About 5-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide

5-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide (PubChem CID 86890205) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 5-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide
PubChem CID86890205
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name5-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide
SMILESCCOc1ccc(CCC2CCN(C(=O)c3ccc(C(=O)N(C)C)nc3C)CC2)cc1
InChIInChI=1S/C25H33N3O3/c1-5-31-21-10-8-19(9-11-21)6-7-20-14-16-28(17-15-20)24(29)22-12-13-23(26-18(22)2)25(30)27(3)4/h8-13,20H,5-7,14-17H2,1-4H3
InChIKeyQJLRTEWPVPZTJQ-UHFFFAOYSA-N
XLogP3.98
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide with MolForge

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Related Compounds

(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 46576805
[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(2-nitrophenyl)methanone
CID 24575263
[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 33304479
(2-chloro-5-methylsulfonylphenyl)-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 55479704
3-amino-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]propan-1-one
CID 119275974
5-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide
CID 86890152
1,3-benzothiazol-6-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 24575268
1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylethanone
CID 55514283
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 55481734
4-amino-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]pentan-1-one
CID 120559552
2,3-dihydro-1-benzofuran-2-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 55478981
5-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-2-methylisoindole-1,3-dione
CID 24586303

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide (CID 86890205) is 5-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide is CCOc1ccc(CCC2CCN(C(=O)c3ccc(C(=O)N(C)C)nc3C)CC2)cc1.
What is the InChIKey of 5-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide?
The InChIKey is QJLRTEWPVPZTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-5-31-21-10-8-19(9-11-21)6-7-20-14-16-28(17-15-20)24(29)22-12-13-23(26-18(22)2)25(30)27(3)4/h8-13,20H,5-7,14-17H2,1-4H3.
What are the key properties of 5-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide?
5-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide is sourced from PubChem (CID 86890205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).