propyl N-(1-isoquinolin-1-ylpiperidin-4-yl)carbamate

C18H23N3O2 — CID 174501315

IUPACpropyl N-(1-isoquinolin-1-ylpiperidin-4-yl)carbamate
SMILESCCCOC(=O)NC1CCN(c2nccc3ccccc23)CC1
InChIInChI=1S/C18H23N3O2/c1-2-13-23-18(22)20-15-8-11-21(12-9-15)17-16-6-4-3-5-14(16)7-10-19-17/h3-7,10,15H,2,8-9,11-13H2,1H3,(H,20,22)
InChIKeyOFCOVRJRJKVEQN-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.34
Rot. Bonds4

About propyl N-(1-isoquinolin-1-ylpiperidin-4-yl)carbamate

propyl N-(1-isoquinolin-1-ylpiperidin-4-yl)carbamate (PubChem CID 174501315) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is propyl N-(1-isoquinolin-1-ylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Namepropyl N-(1-isoquinolin-1-ylpiperidin-4-yl)carbamate
PubChem CID174501315
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Namepropyl N-(1-isoquinolin-1-ylpiperidin-4-yl)carbamate
SMILESCCCOC(=O)NC1CCN(c2nccc3ccccc23)CC1
InChIInChI=1S/C18H23N3O2/c1-2-13-23-18(22)20-15-8-11-21(12-9-15)17-16-6-4-3-5-14(16)7-10-19-17/h3-7,10,15H,2,8-9,11-13H2,1H3,(H,20,22)
InChIKeyOFCOVRJRJKVEQN-UHFFFAOYSA-N
XLogP3.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-(6-aminoisoquinolin-1-yl)piperidin-4-yl]carbamate
CID 138048047
2,3-dichloro-N-(1-isoquinolin-1-ylpiperidin-4-yl)benzamide
CID 24831481
[2-(methylamino)-2-oxoethyl] N-[(1-isoquinolin-1-ylpiperidin-4-yl)methyl]carbamate;hydrochloride
CID 140515620
[2-hydroxy-2-(methylamino)ethyl] N-[1-(1-isoquinolin-1-ylpiperidin-4-yl)propyl]carbamate
CID 141225630
[3-(4-isoquinolin-1-ylpiperazin-1-yl)cyclobutyl]carbamic acid
CID 121415420
2-(1-isoquinolin-1-ylpiperidin-4-yl)oxyethanol
CID 82691067
3-chloro-N-(1-isoquinolin-1-ylpiperidin-4-yl)-2-methylbenzamide;N-(1-isoquinolin-1-ylpiperidin-4-yl)-4-phenoxybenzamide
CID 68880252
1-(4-methylpiperazin-1-yl)isoquinoline
CID 4687476
(1-isoquinolin-1-ylpyrrolidin-3-yl)methanamine
CID 115492061
1-isoquinolin-1-yl-N-(oxan-4-yl)piperidine-3-carboxamide
CID 165431884
2-(1-isoquinolin-1-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid
CID 67136222
CID 89003008
CID 89003008

Frequently Asked Questions

What is the IUPAC name of propyl N-(1-isoquinolin-1-ylpiperidin-4-yl)carbamate?
The IUPAC name of propyl N-(1-isoquinolin-1-ylpiperidin-4-yl)carbamate (CID 174501315) is propyl N-(1-isoquinolin-1-ylpiperidin-4-yl)carbamate.
What is the SMILES notation for propyl N-(1-isoquinolin-1-ylpiperidin-4-yl)carbamate?
The canonical SMILES for propyl N-(1-isoquinolin-1-ylpiperidin-4-yl)carbamate is CCCOC(=O)NC1CCN(c2nccc3ccccc23)CC1.
What is the InChIKey of propyl N-(1-isoquinolin-1-ylpiperidin-4-yl)carbamate?
The InChIKey is OFCOVRJRJKVEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-13-23-18(22)20-15-8-11-21(12-9-15)17-16-6-4-3-5-14(16)7-10-19-17/h3-7,10,15H,2,8-9,11-13H2,1H3,(H,20,22).
What are the key properties of propyl N-(1-isoquinolin-1-ylpiperidin-4-yl)carbamate?
propyl N-(1-isoquinolin-1-ylpiperidin-4-yl)carbamate has a molecular weight of 313.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(1-isoquinolin-1-ylpiperidin-4-yl)carbamate is sourced from PubChem (CID 174501315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).