2-(1-isoquinolin-1-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid

C20H26N4O3 — CID 67136222

IUPAC2-(1-isoquinolin-1-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid
SMILESCNC(=O)CN(CCC1CCN(c2nccc3ccccc23)CC1)C(=O)O
InChIInChI=1S/C20H26N4O3/c1-21-18(25)14-24(20(26)27)13-9-15-7-11-23(12-8-15)19-17-5-3-2-4-16(17)6-10-22-19/h2-6,10,15H,7-9,11-14H2,1H3,(H,21,25)(H,26,27)
InChIKeyGVXHCGHNKCSTRG-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.57
Rot. Bonds6

About 2-(1-isoquinolin-1-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid

2-(1-isoquinolin-1-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid (PubChem CID 67136222) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(1-isoquinolin-1-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid.

Molecular Properties

Compound Name2-(1-isoquinolin-1-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid
PubChem CID67136222
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-(1-isoquinolin-1-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid
SMILESCNC(=O)CN(CCC1CCN(c2nccc3ccccc23)CC1)C(=O)O
InChIInChI=1S/C20H26N4O3/c1-21-18(25)14-24(20(26)27)13-9-15-7-11-23(12-8-15)19-17-5-3-2-4-16(17)6-10-22-19/h2-6,10,15H,7-9,11-14H2,1H3,(H,21,25)(H,26,27)
InChIKeyGVXHCGHNKCSTRG-UHFFFAOYSA-N
XLogP2.57
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1-isoquinolin-1-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Piperazin-1-yl)isoquinoline
CID 15887436
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-pyridin-3-yl-ethylamino)-2H-pyrazin-1-yl]-acetamide
CID 10884041
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-pyridin-2-yl-ethylamino)-2H-pyrazin-1-yl]-acetamide
CID 11004075
6-[4-(pyridin-2-yl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 24768525
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-acetamide
CID 11812296
2-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 4044164
N-{4-methyl-1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]pentan-2-yl}cyclohexanecarboxamide
CID 9550400
N-(3-methylphenyl)-2-[4-(pyridin-2-yl)piperazin-1-yl]acetamide
CID 4797946
2-[4-[5-(4-Carbamimidoylphenyl)-2-pyridinyl]piperazin-1-yl]acetic acid
CID 9840847
4-(3-Methyl-pyridin-2-yl)-piperazine-1-carboxylic acid (4-isopropyl-phenyl)-amide
CID 10268755
1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-pyrido[2,3-e][1,4]diazepin-3-yl)-3-m-tolyl-urea
CID 10340882
3-[4-[1-(3-Isoquinolinyl)-4-piperazinyl]butyl]-5,5-dimethyl-4-thiazolidinone
CID 10501072

Frequently Asked Questions

What is the IUPAC name of 2-(1-isoquinolin-1-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid?
The IUPAC name of 2-(1-isoquinolin-1-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid (CID 67136222) is 2-(1-isoquinolin-1-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid.
What is the SMILES notation for 2-(1-isoquinolin-1-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid?
The canonical SMILES for 2-(1-isoquinolin-1-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid is CNC(=O)CN(CCC1CCN(c2nccc3ccccc23)CC1)C(=O)O.
What is the InChIKey of 2-(1-isoquinolin-1-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid?
The InChIKey is GVXHCGHNKCSTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-21-18(25)14-24(20(26)27)13-9-15-7-11-23(12-8-15)19-17-5-3-2-4-16(17)6-10-22-19/h2-6,10,15H,7-9,11-14H2,1H3,(H,21,25)(H,26,27).
What are the key properties of 2-(1-isoquinolin-1-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid?
2-(1-isoquinolin-1-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid has a molecular weight of 370.45 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-isoquinolin-1-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid is sourced from PubChem (CID 67136222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).