N-(4-acetylphenyl)-2-[4-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]acetamide

C24H27N3O3 — CID 71785007

IUPACN-(4-acetylphenyl)-2-[4-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CN2CCC(COCc3ccc(C#N)cc3)CC2)cc1
InChIInChI=1S/C24H27N3O3/c1-18(28)22-6-8-23(9-7-22)26-24(29)15-27-12-10-21(11-13-27)17-30-16-20-4-2-19(14-25)3-5-20/h2-9,21H,10-13,15-17H2,1H3,(H,26,29)
InChIKeyNBXPIJZDCNQCGN-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.63
Rot. Bonds8

About N-(4-acetylphenyl)-2-[4-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]acetamide

N-(4-acetylphenyl)-2-[4-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]acetamide (PubChem CID 71785007) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[4-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[4-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]acetamide
PubChem CID71785007
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-(4-acetylphenyl)-2-[4-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CN2CCC(COCc3ccc(C#N)cc3)CC2)cc1
InChIInChI=1S/C24H27N3O3/c1-18(28)22-6-8-23(9-7-22)26-24(29)15-27-12-10-21(11-13-27)17-30-16-20-4-2-19(14-25)3-5-20/h2-9,21H,10-13,15-17H2,1H3,(H,26,29)
InChIKeyNBXPIJZDCNQCGN-UHFFFAOYSA-N
XLogP3.63
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide;oxalic acid
CID 71785004
N-(4-cyanophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248740
N-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246133
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-cyanophenyl)acetamide
CID 2082981
N-(4-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
CID 112698282
N-(4-cyanophenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide
CID 103533438
N-(4-cyanophenyl)-2-(3,4-dimethylpiperidin-1-yl)acetamide
CID 115873454
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
N-[4-(cyanomethyl)phenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 62020265
N-(4-cyanophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43430359
N-(4-cyanophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106669426
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 119927919

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[4-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[4-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]acetamide (CID 71785007) is N-(4-acetylphenyl)-2-[4-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[4-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[4-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]acetamide is CC(=O)c1ccc(NC(=O)CN2CCC(COCc3ccc(C#N)cc3)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[4-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]acetamide?
The InChIKey is NBXPIJZDCNQCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-18(28)22-6-8-23(9-7-22)26-24(29)15-27-12-10-21(11-13-27)17-30-16-20-4-2-19(14-25)3-5-20/h2-9,21H,10-13,15-17H2,1H3,(H,26,29).
What are the key properties of N-(4-acetylphenyl)-2-[4-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]acetamide?
N-(4-acetylphenyl)-2-[4-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]acetamide has a molecular weight of 405.50 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[4-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 71785007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).