4-ethyl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide

C20H25N3O — CID 47091378

IUPAC4-ethyl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide
SMILESCCc1ccc(C(=O)N(C)C2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C20H25N3O/c1-3-16-7-9-17(10-8-16)20(24)22(2)18-11-14-23(15-12-18)19-6-4-5-13-21-19/h4-10,13,18H,3,11-12,14-15H2,1-2H3
InChIKeySLPWWJUMIKZMLF-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.38
Rot. Bonds4

About 4-ethyl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide

4-ethyl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide (PubChem CID 47091378) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-ethyl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-ethyl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide
PubChem CID47091378
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name4-ethyl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide
SMILESCCc1ccc(C(=O)N(C)C2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C20H25N3O/c1-3-16-7-9-17(10-8-16)20(24)22(2)18-11-14-23(15-12-18)19-6-4-5-13-21-19/h4-10,13,18H,3,11-12,14-15H2,1-2H3
InChIKeySLPWWJUMIKZMLF-UHFFFAOYSA-N
XLogP3.38
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide
CID 47091375
4-ethoxy-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)benzamide
CID 136538206
N-[(4-ethylphenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 119126767
N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide
CID 51103465
N-methyl-N-(4-methylcyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 78808128
1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 63845661
N-cyclohexyl-N-methyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108503873
(2R)-2-imidazol-1-yl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide
CID 95595640
3-ethyl-N,5-dimethyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide
CID 125005100
N-cyclohexyl-N-methyl-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574966
3-(4-ethylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109030253
1,1-dimethyl-3-[2-[4-(1-pyridin-2-ylpiperidin-4-yl)piperidin-1-yl]ethyl]urea
CID 71378137

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide?
The IUPAC name of 4-ethyl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide (CID 47091378) is 4-ethyl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-ethyl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-ethyl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide is CCc1ccc(C(=O)N(C)C2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 4-ethyl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide?
The InChIKey is SLPWWJUMIKZMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-3-16-7-9-17(10-8-16)20(24)22(2)18-11-14-23(15-12-18)19-6-4-5-13-21-19/h4-10,13,18H,3,11-12,14-15H2,1-2H3.
What are the key properties of 4-ethyl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide?
4-ethyl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide has a molecular weight of 323.44 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 47091378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).