(3R)-2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

C19H27N3O2 — CID 94343770

IUPAC(3R)-2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCC[C@@H]1CCCCN1C(=O)CN1Cc2ccccc2C[C@@H]1C(N)=O
InChIInChI=1S/C19H27N3O2/c1-2-16-9-5-6-10-22(16)18(23)13-21-12-15-8-4-3-7-14(15)11-17(21)19(20)24/h3-4,7-8,16-17H,2,5-6,9-13H2,1H3,(H2,20,24)/t16-,17-/m1/s1
InChIKeyZWWJDAOZYJJYGS-IAGOWNOFSA-N
MW329.44 g/mol
LogP1.69
Rot. Bonds4

About (3R)-2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

(3R)-2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 94343770) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (3R)-2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
PubChem CID94343770
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(3R)-2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCC[C@@H]1CCCCN1C(=O)CN1Cc2ccccc2C[C@@H]1C(N)=O
InChIInChI=1S/C19H27N3O2/c1-2-16-9-5-6-10-22(16)18(23)13-21-12-15-8-4-3-7-14(15)11-17(21)19(20)24/h3-4,7-8,16-17H,2,5-6,9-13H2,1H3,(H2,20,24)/t16-,17-/m1/s1
InChIKeyZWWJDAOZYJJYGS-IAGOWNOFSA-N
XLogP1.69
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide with MolForge

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Related Compounds

2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 56810198
(3S)-2-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95586050
2-[(2S)-2-benzylpyrrolidin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
CID 124838955
2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 682215
(3S)-2-(cyanomethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55935265
2-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55381652
(3R)-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 39983627
2-[(2S)-1-[2-(1,3-dihydroisoindol-2-yl)acetyl]piperidin-2-yl]acetic acid
CID 125175276
1-[(2R)-2-ethylpiperidin-1-yl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 94249392
3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide
CID 43266603
(3R)-2-[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 98752081
(3S)-2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55935267

Frequently Asked Questions

What is the IUPAC name of (3R)-2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The IUPAC name of (3R)-2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 94343770) is (3R)-2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The canonical SMILES for (3R)-2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide is CC[C@@H]1CCCCN1C(=O)CN1Cc2ccccc2C[C@@H]1C(N)=O.
What is the InChIKey of (3R)-2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The InChIKey is ZWWJDAOZYJJYGS-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-2-16-9-5-6-10-22(16)18(23)13-21-12-15-8-4-3-7-14(15)11-17(21)19(20)24/h3-4,7-8,16-17H,2,5-6,9-13H2,1H3,(H2,20,24)/t16-,17-/m1/s1.
What are the key properties of (3R)-2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
(3R)-2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 94343770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).