N-acetyl-2-[4-[2-(2-acetylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)ethyl]-2-pyridinyl]acetamide

C26H32N4O3 — CID 121350945

IUPACN-acetyl-2-[4-[2-(2-acetylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)ethyl]-2-pyridinyl]acetamide
SMILESCC(=O)NC(=O)Cc1cc(CCN2CCC3(CC2)c2ccccc2CCN3C(C)=O)ccn1
InChIInChI=1S/C26H32N4O3/c1-19(31)28-25(33)18-23-17-21(7-12-27-23)8-13-29-15-10-26(11-16-29)24-6-4-3-5-22(24)9-14-30(26)20(2)32/h3-7,12,17H,8-11,13-16,18H2,1-2H3,(H,28,31,33)
InChIKeyFCOSUDHJGXPJSY-UHFFFAOYSA-N
MW448.57 g/mol
LogP2.23
Rot. Bonds5

About N-acetyl-2-[4-[2-(2-acetylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)ethyl]-2-pyridinyl]acetamide

N-acetyl-2-[4-[2-(2-acetylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)ethyl]-2-pyridinyl]acetamide (PubChem CID 121350945) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-acetyl-2-[4-[2-(2-acetylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)ethyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-acetyl-2-[4-[2-(2-acetylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)ethyl]-2-pyridinyl]acetamide
PubChem CID121350945
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC NameN-acetyl-2-[4-[2-(2-acetylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)ethyl]-2-pyridinyl]acetamide
SMILESCC(=O)NC(=O)Cc1cc(CCN2CCC3(CC2)c2ccccc2CCN3C(C)=O)ccn1
InChIInChI=1S/C26H32N4O3/c1-19(31)28-25(33)18-23-17-21(7-12-27-23)8-13-29-15-10-26(11-16-29)24-6-4-3-5-22(24)9-14-30(26)20(2)32/h3-7,12,17H,8-11,13-16,18H2,1-2H3,(H,28,31,33)
InChIKeyFCOSUDHJGXPJSY-UHFFFAOYSA-N
XLogP2.23
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-acetyl-2-[4-[2-(2-acetylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)ethyl]-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(2-acetylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)ethyl]pyridine-2-carbonitrile
CID 121359805
2-hydroxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone
CID 121350884
2-methoxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone
CID 121359978
tert-butyl N-[2-(2-acetylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)ethyl]-N-methylcarbamate
CID 121359639
1'-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]
CID 121359940
1-(1'-benzylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl)-2,2,2-trifluoroethanone
CID 121359829
7-methoxy-2-methyl-1'-(pyridin-2-ylmethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine];bis(2,2,2-trifluoroacetic acid)
CID 118746286
N-ethyl-1'-(2-pyridin-4-ylethyl)spiro[3,4,6,7-tetrahydroisoquinoline-1,4'-piperidine]-2-carboxamide
CID 163935748
[4-(2-piperazin-1-ylethyl)-2-pyridinyl]methanol
CID 84788091
4-ethyl-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
CID 55179316
N-[[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 165352141
1'-(cyclohexylmethyl)-2-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]
CID 121359802

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-[4-[2-(2-acetylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)ethyl]-2-pyridinyl]acetamide?
The IUPAC name of N-acetyl-2-[4-[2-(2-acetylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)ethyl]-2-pyridinyl]acetamide (CID 121350945) is N-acetyl-2-[4-[2-(2-acetylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)ethyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-acetyl-2-[4-[2-(2-acetylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)ethyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-acetyl-2-[4-[2-(2-acetylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)ethyl]-2-pyridinyl]acetamide is CC(=O)NC(=O)Cc1cc(CCN2CCC3(CC2)c2ccccc2CCN3C(C)=O)ccn1.
What is the InChIKey of N-acetyl-2-[4-[2-(2-acetylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)ethyl]-2-pyridinyl]acetamide?
The InChIKey is FCOSUDHJGXPJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-19(31)28-25(33)18-23-17-21(7-12-27-23)8-13-29-15-10-26(11-16-29)24-6-4-3-5-22(24)9-14-30(26)20(2)32/h3-7,12,17H,8-11,13-16,18H2,1-2H3,(H,28,31,33).
What are the key properties of N-acetyl-2-[4-[2-(2-acetylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)ethyl]-2-pyridinyl]acetamide?
N-acetyl-2-[4-[2-(2-acetylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)ethyl]-2-pyridinyl]acetamide has a molecular weight of 448.57 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-[4-[2-(2-acetylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)ethyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 121350945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).