1-acetyl-N-[6-(azet-3-yl)isoquinolin-3-yl]piperidine-4-carboxamide

C20H20N4O2 — CID 143569882

IUPAC1-acetyl-N-[6-(azet-3-yl)isoquinolin-3-yl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cc3cc(C4=CN=C4)ccc3cn2)CC1
InChIInChI=1S/C20H20N4O2/c1-13(25)24-6-4-14(5-7-24)20(26)23-19-9-17-8-15(18-10-21-11-18)2-3-16(17)12-22-19/h2-3,8-12,14H,4-7H2,1H3,(H,22,23,26)
InChIKeyPOFCHDOERKDVNU-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.86
Rot. Bonds3

About 1-acetyl-N-[6-(azet-3-yl)isoquinolin-3-yl]piperidine-4-carboxamide

1-acetyl-N-[6-(azet-3-yl)isoquinolin-3-yl]piperidine-4-carboxamide (PubChem CID 143569882) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-acetyl-N-[6-(azet-3-yl)isoquinolin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[6-(azet-3-yl)isoquinolin-3-yl]piperidine-4-carboxamide
PubChem CID143569882
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-acetyl-N-[6-(azet-3-yl)isoquinolin-3-yl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cc3cc(C4=CN=C4)ccc3cn2)CC1
InChIInChI=1S/C20H20N4O2/c1-13(25)24-6-4-14(5-7-24)20(26)23-19-9-17-8-15(18-10-21-11-18)2-3-16(17)12-22-19/h2-3,8-12,14H,4-7H2,1H3,(H,22,23,26)
InChIKeyPOFCHDOERKDVNU-UHFFFAOYSA-N
XLogP2.86
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(5-formyl-3-pyridinyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide
CID 138586260
N-methyl-5-[3-[(1-methylpiperidine-4-carbonyl)amino]isoquinolin-6-yl]pyridine-3-carboxamide
CID 138586300
(3S)-3-[(6-carbamoylisoquinolin-3-yl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 118980630
1-acetyl-N-(5-fluoro-2-pyridinyl)piperidine-4-carboxamide
CID 163343949
1-(2-fluoroethyl)-N-(6-pyrazin-2-ylisoquinolin-3-yl)piperidine-4-carboxamide
CID 138586292
2-[4-[[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]carbamoyl]piperidin-1-yl]acetic acid
CID 166687835
2-[4-[[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]carbamoyl]piperidin-1-yl]propanoic acid
CID 166687824
2-[4-[[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]carbamoyl]piperidin-1-yl]acetic acid
CID 166687833
N-[6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 138586383
1-acetyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-4-carboxamide
CID 60973723
N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrolidine-1-carboxamide
CID 168793398
1-acetyl-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 29367836

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[6-(azet-3-yl)isoquinolin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[6-(azet-3-yl)isoquinolin-3-yl]piperidine-4-carboxamide (CID 143569882) is 1-acetyl-N-[6-(azet-3-yl)isoquinolin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[6-(azet-3-yl)isoquinolin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[6-(azet-3-yl)isoquinolin-3-yl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2cc3cc(C4=CN=C4)ccc3cn2)CC1.
What is the InChIKey of 1-acetyl-N-[6-(azet-3-yl)isoquinolin-3-yl]piperidine-4-carboxamide?
The InChIKey is POFCHDOERKDVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13(25)24-6-4-14(5-7-24)20(26)23-19-9-17-8-15(18-10-21-11-18)2-3-16(17)12-22-19/h2-3,8-12,14H,4-7H2,1H3,(H,22,23,26).
What are the key properties of 1-acetyl-N-[6-(azet-3-yl)isoquinolin-3-yl]piperidine-4-carboxamide?
1-acetyl-N-[6-(azet-3-yl)isoquinolin-3-yl]piperidine-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[6-(azet-3-yl)isoquinolin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 143569882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).