N-isoquinolin-6-yl-2-piperidin-1-ylacetamide

C16H19N3O — CID 134249863

IUPACN-isoquinolin-6-yl-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1ccc2cnccc2c1
InChIInChI=1S/C16H19N3O/c20-16(12-19-8-2-1-3-9-19)18-15-5-4-14-11-17-7-6-13(14)10-15/h4-7,10-11H,1-3,8-9,12H2,(H,18,20)
InChIKeyTWPGBACREBREEQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.66
Rot. Bonds3

About N-isoquinolin-6-yl-2-piperidin-1-ylacetamide

N-isoquinolin-6-yl-2-piperidin-1-ylacetamide (PubChem CID 134249863) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-isoquinolin-6-yl-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-isoquinolin-6-yl-2-piperidin-1-ylacetamide
PubChem CID134249863
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-isoquinolin-6-yl-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1ccc2cnccc2c1
InChIInChI=1S/C16H19N3O/c20-16(12-19-8-2-1-3-9-19)18-15-5-4-14-11-17-7-6-13(14)10-15/h4-7,10-11H,1-3,8-9,12H2,(H,18,20)
InChIKeyTWPGBACREBREEQ-UHFFFAOYSA-N
XLogP2.66
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indazol-6-yl)-2-piperidin-1-ylacetamide
CID 4205198
N-isoquinolin-6-ylbutanamide
CID 118007953
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride
CID 53350713
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide
CID 16599046
2-piperidin-1-yl-N-[7-[(2-piperidin-1-ylacetyl)amino]-9H-fluoren-2-yl]acetamide
CID 14072226
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylacetamide chloride
CID 21228925
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-pyridin-3-ylpropanamide
CID 86852146
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-6-yl-2-piperidin-1-ylacetamide?
The IUPAC name of N-isoquinolin-6-yl-2-piperidin-1-ylacetamide (CID 134249863) is N-isoquinolin-6-yl-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-isoquinolin-6-yl-2-piperidin-1-ylacetamide?
The canonical SMILES for N-isoquinolin-6-yl-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1ccc2cnccc2c1.
What is the InChIKey of N-isoquinolin-6-yl-2-piperidin-1-ylacetamide?
The InChIKey is TWPGBACREBREEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(12-19-8-2-1-3-9-19)18-15-5-4-14-11-17-7-6-13(14)10-15/h4-7,10-11H,1-3,8-9,12H2,(H,18,20).
What are the key properties of N-isoquinolin-6-yl-2-piperidin-1-ylacetamide?
N-isoquinolin-6-yl-2-piperidin-1-ylacetamide has a molecular weight of 269.35 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-6-yl-2-piperidin-1-ylacetamide is sourced from PubChem (CID 134249863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).