[3-(aminomethyl)-3-methoxycyclobutyl]-(4-isoquinolin-4-ylpiperazin-1-yl)methanone

C20H26N4O2 — CID 167923854

IUPAC[3-(aminomethyl)-3-methoxycyclobutyl]-(4-isoquinolin-4-ylpiperazin-1-yl)methanone
SMILESCOC1(CN)CC(C(=O)N2CCN(c3cncc4ccccc34)CC2)C1
InChIInChI=1S/C20H26N4O2/c1-26-20(14-21)10-16(11-20)19(25)24-8-6-23(7-9-24)18-13-22-12-15-4-2-3-5-17(15)18/h2-5,12-13,16H,6-11,14,21H2,1H3
InChIKeyOJHNEXRPRBLTLY-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.64
Rot. Bonds4

About [3-(aminomethyl)-3-methoxycyclobutyl]-(4-isoquinolin-4-ylpiperazin-1-yl)methanone

[3-(aminomethyl)-3-methoxycyclobutyl]-(4-isoquinolin-4-ylpiperazin-1-yl)methanone (PubChem CID 167923854) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methoxycyclobutyl]-(4-isoquinolin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methoxycyclobutyl]-(4-isoquinolin-4-ylpiperazin-1-yl)methanone
PubChem CID167923854
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name[3-(aminomethyl)-3-methoxycyclobutyl]-(4-isoquinolin-4-ylpiperazin-1-yl)methanone
SMILESCOC1(CN)CC(C(=O)N2CCN(c3cncc4ccccc34)CC2)C1
InChIInChI=1S/C20H26N4O2/c1-26-20(14-21)10-16(11-20)19(25)24-8-6-23(7-9-24)18-13-22-12-15-4-2-3-5-17(15)18/h2-5,12-13,16H,6-11,14,21H2,1H3
InChIKeyOJHNEXRPRBLTLY-UHFFFAOYSA-N
XLogP1.64
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(aminomethyl)-3-methoxycyclobutyl]-(4-isoquinolin-4-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

(2,5-dimethylphenyl)-(4-isoquinolin-4-ylpiperazin-1-yl)methanone
CID 166219485
2-(1H-indol-3-yl)-1-(4-isoquinolin-4-ylpiperazin-1-yl)ethanone
CID 99791369
tert-butyl 8-isoquinolin-4-yl-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 134145695
3-(3-fluorophenyl)-1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-methylpropan-1-one
CID 126766788
1-(4-isoquinolin-4-ylpiperazin-1-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 126780409
N-[2-(4-isoquinolin-4-ylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 126780252
[2-(methylamino)-2-oxoethyl] N-[2-(1-isoquinolin-4-ylpiperidin-4-yl)ethyl]carbamate;hydrochloride
CID 66629588
methyl 2-[5-[8-aminooctyl(formyl)amino]-2-oxo-1-pyridinyl]acetate;4-piperidin-1-ylisoquinoline
CID 176559724
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanone
CID 43920568
3-[2-(4-isoquinolin-4-ylpiperazin-1-yl)ethyl]-5-methylimidazolidine-2,4-dione
CID 146130699
2-(1-isoquinolin-4-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid
CID 67137377
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 34229652

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methoxycyclobutyl]-(4-isoquinolin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(aminomethyl)-3-methoxycyclobutyl]-(4-isoquinolin-4-ylpiperazin-1-yl)methanone (CID 167923854) is [3-(aminomethyl)-3-methoxycyclobutyl]-(4-isoquinolin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)-3-methoxycyclobutyl]-(4-isoquinolin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(aminomethyl)-3-methoxycyclobutyl]-(4-isoquinolin-4-ylpiperazin-1-yl)methanone is COC1(CN)CC(C(=O)N2CCN(c3cncc4ccccc34)CC2)C1.
What is the InChIKey of [3-(aminomethyl)-3-methoxycyclobutyl]-(4-isoquinolin-4-ylpiperazin-1-yl)methanone?
The InChIKey is OJHNEXRPRBLTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-26-20(14-21)10-16(11-20)19(25)24-8-6-23(7-9-24)18-13-22-12-15-4-2-3-5-17(15)18/h2-5,12-13,16H,6-11,14,21H2,1H3.
What are the key properties of [3-(aminomethyl)-3-methoxycyclobutyl]-(4-isoquinolin-4-ylpiperazin-1-yl)methanone?
[3-(aminomethyl)-3-methoxycyclobutyl]-(4-isoquinolin-4-ylpiperazin-1-yl)methanone has a molecular weight of 354.45 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methoxycyclobutyl]-(4-isoquinolin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 167923854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).