2-[1-(5-methoxyisoquinolin-1-yl)piperidin-4-yl]-N,N-dimethylacetamide

C19H25N3O2 — CID 136545971

IUPAC2-[1-(5-methoxyisoquinolin-1-yl)piperidin-4-yl]-N,N-dimethylacetamide
SMILESCOc1cccc2c(N3CCC(CC(=O)N(C)C)CC3)nccc12
InChIInChI=1S/C19H25N3O2/c1-21(2)18(23)13-14-8-11-22(12-9-14)19-16-5-4-6-17(24-3)15(16)7-10-20-19/h4-7,10,14H,8-9,11-13H2,1-3H3
InChIKeyMRAKELSNRZXXPN-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.94
Rot. Bonds4

About 2-[1-(5-methoxyisoquinolin-1-yl)piperidin-4-yl]-N,N-dimethylacetamide

2-[1-(5-methoxyisoquinolin-1-yl)piperidin-4-yl]-N,N-dimethylacetamide (PubChem CID 136545971) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[1-(5-methoxyisoquinolin-1-yl)piperidin-4-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-(5-methoxyisoquinolin-1-yl)piperidin-4-yl]-N,N-dimethylacetamide
PubChem CID136545971
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-[1-(5-methoxyisoquinolin-1-yl)piperidin-4-yl]-N,N-dimethylacetamide
SMILESCOc1cccc2c(N3CCC(CC(=O)N(C)C)CC3)nccc12
InChIInChI=1S/C19H25N3O2/c1-21(2)18(23)13-14-8-11-22(12-9-14)19-16-5-4-6-17(24-3)15(16)7-10-20-19/h4-7,10,14H,8-9,11-13H2,1-3H3
InChIKeyMRAKELSNRZXXPN-UHFFFAOYSA-N
XLogP2.94
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methoxyisoquinolin-1-yl)piperidin-4-ol
CID 106541346
3-ethyl-1-(5-methoxyisoquinolin-1-yl)piperidin-4-amine
CID 106540923
1-[3-(bromomethyl)piperidin-1-yl]-5-methoxyisoquinoline
CID 106542924
1-(5-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde
CID 106542383
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(3-methoxy-2-pyridinyl)piperidin-4-yl]ethanone
CID 172891020
N-[[1-(5-bromoisoquinolin-1-yl)piperidin-4-yl]methyl]ethanamine
CID 106540909
N,N-dimethyl-2-(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)acetamide
CID 136522053
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2,3-dimethoxybenzamide
CID 121108934
[1-(5-methoxyisoquinolin-1-yl)pyrrolidin-2-yl]methanamine
CID 106540997
1-[2-(bromomethyl)azepan-1-yl]-5-methoxyisoquinoline
CID 106543196
1-[1-(5-methoxyisoquinolin-1-yl)piperidin-2-yl]-N-methylmethanamine
CID 106540539
2-[(5-methoxyisoquinolin-1-yl)-methylamino]acetic acid
CID 82571004

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methoxyisoquinolin-1-yl)piperidin-4-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[1-(5-methoxyisoquinolin-1-yl)piperidin-4-yl]-N,N-dimethylacetamide (CID 136545971) is 2-[1-(5-methoxyisoquinolin-1-yl)piperidin-4-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-(5-methoxyisoquinolin-1-yl)piperidin-4-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-(5-methoxyisoquinolin-1-yl)piperidin-4-yl]-N,N-dimethylacetamide is COc1cccc2c(N3CCC(CC(=O)N(C)C)CC3)nccc12.
What is the InChIKey of 2-[1-(5-methoxyisoquinolin-1-yl)piperidin-4-yl]-N,N-dimethylacetamide?
The InChIKey is MRAKELSNRZXXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-21(2)18(23)13-14-8-11-22(12-9-14)19-16-5-4-6-17(24-3)15(16)7-10-20-19/h4-7,10,14H,8-9,11-13H2,1-3H3.
What are the key properties of 2-[1-(5-methoxyisoquinolin-1-yl)piperidin-4-yl]-N,N-dimethylacetamide?
2-[1-(5-methoxyisoquinolin-1-yl)piperidin-4-yl]-N,N-dimethylacetamide has a molecular weight of 327.43 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methoxyisoquinolin-1-yl)piperidin-4-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 136545971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).