N-[3-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]phenyl]acetamide

C23H26N4O — CID 122495432

IUPACN-[3-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cncc3ccc(CN4CCC(N)CC4)cc23)c1
InChIInChI=1S/C23H26N4O/c1-16(28)26-21-4-2-3-18(12-21)23-14-25-13-19-6-5-17(11-22(19)23)15-27-9-7-20(24)8-10-27/h2-6,11-14,20H,7-10,15,24H2,1H3,(H,26,28)
InChIKeyXHGHVGAWFGYBSS-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.78
Rot. Bonds4

About N-[3-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]phenyl]acetamide

N-[3-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]phenyl]acetamide (PubChem CID 122495432) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[3-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]phenyl]acetamide
PubChem CID122495432
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[3-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cncc3ccc(CN4CCC(N)CC4)cc23)c1
InChIInChI=1S/C23H26N4O/c1-16(28)26-21-4-2-3-18(12-21)23-14-25-13-19-6-5-17(11-22(19)23)15-27-9-7-20(24)8-10-27/h2-6,11-14,20H,7-10,15,24H2,1H3,(H,26,28)
InChIKeyXHGHVGAWFGYBSS-UHFFFAOYSA-N
XLogP3.78
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]propan-2-one
CID 174877630
N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 118025180
N-[3-[6-[(4-hydroxypiperidin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]acetamide
CID 10092521
N-[3-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]phenyl]acetamide
CID 58590945
[1-[(4-quinolin-2-ylisoquinolin-6-yl)methyl]piperidin-4-yl]carbamic acid
CID 122457801
[1-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]piperidin-4-yl]carbamic acid
CID 122457727
N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019946
N-(3-acetamidophenyl)-2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 166602168
tert-butyl N-[1-[[4-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoylamino]phenyl]isoquinolin-6-yl]methyl]piperidin-4-yl]carbamate
CID 122495293
3-(3-acetamidophenyl)pyridine-4-carboxylic acid
CID 53223642
N-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]phenyl]acetamide
CID 46089334
N-[3-[3-[(3R)-1-benzylpiperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 95818594

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]phenyl]acetamide (CID 122495432) is N-[3-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cncc3ccc(CN4CCC(N)CC4)cc23)c1.
What is the InChIKey of N-[3-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]phenyl]acetamide?
The InChIKey is XHGHVGAWFGYBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-16(28)26-21-4-2-3-18(12-21)23-14-25-13-19-6-5-17(11-22(19)23)15-27-9-7-20(24)8-10-27/h2-6,11-14,20H,7-10,15,24H2,1H3,(H,26,28).
What are the key properties of N-[3-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]phenyl]acetamide?
N-[3-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]phenyl]acetamide has a molecular weight of 374.49 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]phenyl]acetamide is sourced from PubChem (CID 122495432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).