N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride

C18H28Cl2N4O2 — CID 119853482

IUPACN-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
SMILESCNC(=O)CN1CCC(NC(=O)C2Cc3ccccc3CN2)CC1.Cl.Cl
InChIInChI=1S/C18H26N4O2.2ClH/c1-19-17(23)12-22-8-6-15(7-9-22)21-18(24)16-10-13-4-2-3-5-14(13)11-20-16;;/h2-5,15-16,20H,6-12H2,1H3,(H,19,23)(H,21,24);2*1H
InChIKeyIYELTBOEGOSIRW-UHFFFAOYSA-N
MW403.35 g/mol
LogP0.87
Rot. Bonds4

About N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride

N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride (PubChem CID 119853482) has the molecular formula C18H28Cl2N4O2 and a molecular weight of 403.35 g/mol. Its IUPAC name is N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
PubChem CID119853482
Molecular FormulaC18H28Cl2N4O2
Molecular Weight403.35 g/mol
Exact Mass402.16
IUPAC NameN-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
SMILESCNC(=O)CN1CCC(NC(=O)C2Cc3ccccc3CN2)CC1.Cl.Cl
InChIInChI=1S/C18H26N4O2.2ClH/c1-19-17(23)12-22-8-6-15(7-9-22)21-18(24)16-10-13-4-2-3-5-14(13)11-20-16;;/h2-5,15-16,20H,6-12H2,1H3,(H,19,23)(H,21,24);2*1H
InChIKeyIYELTBOEGOSIRW-UHFFFAOYSA-N
XLogP0.87
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.35
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride with MolForge

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Related Compounds

(3S)-N-(1-acetylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 97311671
N-(1-pyridin-2-ylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
CID 119854490
N-(3-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119285436
(3S)-N-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896600
(3S)-N-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 44667214
(2S)-N-(1-ethylpiperidin-4-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61156890
N-(2-propylcyclopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119342973
(3S)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106255764
N-methyl-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119275566
N-(1,1-dioxothiolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24698231
(3S)-N-[(2R)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 44668197
N-(5-oxopyrrolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106187443

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride?
The IUPAC name of N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride (CID 119853482) is N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride is CNC(=O)CN1CCC(NC(=O)C2Cc3ccccc3CN2)CC1.Cl.Cl.
What is the InChIKey of N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride?
The InChIKey is IYELTBOEGOSIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.2ClH/c1-19-17(23)12-22-8-6-15(7-9-22)21-18(24)16-10-13-4-2-3-5-14(13)11-20-16;;/h2-5,15-16,20H,6-12H2,1H3,(H,19,23)(H,21,24);2*1H.
What are the key properties of N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride?
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride has a molecular weight of 403.35 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119853482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).