2-[3-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]acetamide

C18H25N3O3 — CID 131891055

IUPAC2-[3-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]acetamide
SMILESCOc1ccc2c(c1)CCN(C(=O)C1CCCN(CC(N)=O)C1)C2
InChIInChI=1S/C18H25N3O3/c1-24-16-5-4-14-11-21(8-6-13(14)9-16)18(23)15-3-2-7-20(10-15)12-17(19)22/h4-5,9,15H,2-3,6-8,10-12H2,1H3,(H2,19,22)
InChIKeyGHPYOXYDIISCBT-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.78
Rot. Bonds4

About 2-[3-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]acetamide

2-[3-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]acetamide (PubChem CID 131891055) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[3-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]acetamide
PubChem CID131891055
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-[3-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]acetamide
SMILESCOc1ccc2c(c1)CCN(C(=O)C1CCCN(CC(N)=O)C1)C2
InChIInChI=1S/C18H25N3O3/c1-24-16-5-4-14-11-21(8-6-13(14)9-16)18(23)15-3-2-7-20(10-15)12-17(19)22/h4-5,9,15H,2-3,6-8,10-12H2,1H3,(H2,19,22)
InChIKeyGHPYOXYDIISCBT-UHFFFAOYSA-N
XLogP0.78
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3747490
2-[3-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]piperidin-1-yl]acetamide
CID 70729938
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-3-yl]methanone
CID 90600898
3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3751889
3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 7344831
N-[2-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethyl]-3,4-dimethoxybenzamide;hydrochloride
CID 18520095
6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride
CID 172635030
N-[2-[(3R)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethyl]-4-methylbenzamide
CID 143415628
2-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclobutane-1-carboxylic acid
CID 120975551
2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 18759834
azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3796866
3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 2930889

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]acetamide?
The IUPAC name of 2-[3-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]acetamide (CID 131891055) is 2-[3-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]acetamide?
The canonical SMILES for 2-[3-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]acetamide is COc1ccc2c(c1)CCN(C(=O)C1CCCN(CC(N)=O)C1)C2.
What is the InChIKey of 2-[3-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]acetamide?
The InChIKey is GHPYOXYDIISCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-24-16-5-4-14-11-21(8-6-13(14)9-16)18(23)15-3-2-7-20(10-15)12-17(19)22/h4-5,9,15H,2-3,6-8,10-12H2,1H3,(H2,19,22).
What are the key properties of 2-[3-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]acetamide?
2-[3-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 131891055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).