[2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride

C20H30ClN3O — CID 119929953

IUPAC[2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
SMILESCl.O=C(C1Cc2ccccc2CN1CC1CCNCC1)N1CCCC1
InChIInChI=1S/C20H29N3O.ClH/c24-20(22-11-3-4-12-22)19-13-17-5-1-2-6-18(17)15-23(19)14-16-7-9-21-10-8-16;/h1-2,5-6,16,19,21H,3-4,7-15H2;1H
InChIKeyQAEPDBCUVBSBMX-UHFFFAOYSA-N
MW363.93 g/mol
LogP2.46
Rot. Bonds3

About [2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride

[2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride (PubChem CID 119929953) has the molecular formula C20H30ClN3O and a molecular weight of 363.93 g/mol. Its IUPAC name is [2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
PubChem CID119929953
Molecular FormulaC20H30ClN3O
Molecular Weight363.93 g/mol
Exact Mass363.21
IUPAC Name[2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
SMILESCl.O=C(C1Cc2ccccc2CN1CC1CCNCC1)N1CCCC1
InChIInChI=1S/C20H29N3O.ClH/c24-20(22-11-3-4-12-22)19-13-17-5-1-2-6-18(17)15-23(19)14-16-7-9-21-10-8-16;/h1-2,5-6,16,19,21H,3-4,7-15H2;1H
InChIKeyQAEPDBCUVBSBMX-UHFFFAOYSA-N
XLogP2.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.93
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride with MolForge

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Related Compounds

[2-[(4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 4264806
N-phenyl-2-[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 30282878
N-ethyl-N-phenyl-2-[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 51952777
1-[[1-[(3R)-2-ethyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 96571869
1-[3-(1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-methylbutan-1-one;hydrochloride
CID 119418886
(3S)-N-methyl-2-[(7-oxoazepan-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 146134234
N-(2-cyanoethyl)-N-methyl-2-[(3R)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 51952764
[2-[(5-chloro-2-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-piperidin-1-ylmethanone
CID 4546211
(3R)-2-(piperidine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 61158579
(2S)-1-(piperidin-4-ylmethyl)-2,3-dihydroindole-2-carboxamide;hydrochloride
CID 119930985
2-(3-oxo-3-piperazin-1-ylpropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride
CID 120980475
[2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 120750800

Frequently Asked Questions

What is the IUPAC name of [2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride?
The IUPAC name of [2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride (CID 119929953) is [2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride?
The canonical SMILES for [2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride is Cl.O=C(C1Cc2ccccc2CN1CC1CCNCC1)N1CCCC1.
What is the InChIKey of [2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride?
The InChIKey is QAEPDBCUVBSBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O.ClH/c24-20(22-11-3-4-12-22)19-13-17-5-1-2-6-18(17)15-23(19)14-16-7-9-21-10-8-16;/h1-2,5-6,16,19,21H,3-4,7-15H2;1H.
What are the key properties of [2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride?
[2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride has a molecular weight of 363.93 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 119929953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).