N-(4-ethylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide

C21H27N3O — CID 46054712

IUPACN-(4-ethylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
SMILESCCc1ccc(N(C(C)=O)C2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C21H27N3O/c1-3-18-4-6-20(7-5-18)24(17(2)25)21-10-14-23(15-11-21)16-19-8-12-22-13-9-19/h4-9,12-13,21H,3,10-11,14-16H2,1-2H3
InChIKeyIYNOJCSKNWJAJK-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.66
Rot. Bonds5

About N-(4-ethylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide

N-(4-ethylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide (PubChem CID 46054712) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
PubChem CID46054712
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-(4-ethylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
SMILESCCc1ccc(N(C(C)=O)C2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C21H27N3O/c1-3-18-4-6-20(7-5-18)24(17(2)25)21-10-14-23(15-11-21)16-19-8-12-22-13-9-19/h4-9,12-13,21H,3,10-11,14-16H2,1-2H3
InChIKeyIYNOJCSKNWJAJK-UHFFFAOYSA-N
XLogP3.66
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide
CID 46054717
N-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 46052023
N-(4-ethylphenyl)-N-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]acetamide
CID 42856586
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)acetamide
CID 46054716
N-(4-fluorophenyl)-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 46047957
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)propanamide
CID 46054953
N-(4-ethylphenyl)-4-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzamide
CID 46054943
N-(3,4-dimethoxyphenyl)-N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]acetamide
CID 46054543
3-(4-ethylphenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one
CID 110709163
2-tert-butylsulfanyl-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 60605574
N,4-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide
CID 60605546
N-(4-ethylphenyl)-N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]butanamide
CID 46054963

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide (CID 46054712) is N-(4-ethylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide is CCc1ccc(N(C(C)=O)C2CCN(Cc3ccncc3)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide?
The InChIKey is IYNOJCSKNWJAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-3-18-4-6-20(7-5-18)24(17(2)25)21-10-14-23(15-11-21)16-19-8-12-22-13-9-19/h4-9,12-13,21H,3,10-11,14-16H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide?
N-(4-ethylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide has a molecular weight of 337.47 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 46054712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).