4-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]isoquinoline-6-carboxamide;hydrochloride

C21H27ClN4O4 — CID 162326995

IUPAC4-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]isoquinoline-6-carboxamide;hydrochloride
SMILESCl.NC(=O)c1ccc2cncc(N3CCC(OCC(=O)N4CCOCC4)CC3)c2c1
InChIInChI=1S/C21H26N4O4.ClH/c22-21(27)15-1-2-16-12-23-13-19(18(16)11-15)24-5-3-17(4-6-24)29-14-20(26)25-7-9-28-10-8-25;/h1-2,11-13,17H,3-10,14H2,(H2,22,27);1H
InChIKeyMCCPPLLDPFXNES-UHFFFAOYSA-N
MW434.92 g/mol
LogP1.60
Rot. Bonds5

About 4-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]isoquinoline-6-carboxamide;hydrochloride

4-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]isoquinoline-6-carboxamide;hydrochloride (PubChem CID 162326995) has the molecular formula C21H27ClN4O4 and a molecular weight of 434.92 g/mol. Its IUPAC name is 4-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]isoquinoline-6-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]isoquinoline-6-carboxamide;hydrochloride
PubChem CID162326995
Molecular FormulaC21H27ClN4O4
Molecular Weight434.92 g/mol
Exact Mass434.17
IUPAC Name4-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]isoquinoline-6-carboxamide;hydrochloride
SMILESCl.NC(=O)c1ccc2cncc(N3CCC(OCC(=O)N4CCOCC4)CC3)c2c1
InChIInChI=1S/C21H26N4O4.ClH/c22-21(27)15-1-2-16-12-23-13-19(18(16)11-15)24-5-3-17(4-6-24)29-14-20(26)25-7-9-28-10-8-25;/h1-2,11-13,17H,3-10,14H2,(H2,22,27);1H
InChIKeyMCCPPLLDPFXNES-UHFFFAOYSA-N
XLogP1.60
TPSA97.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.92
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]isoquinoline-6-carboxamide;hydrochloride?
The IUPAC name of 4-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]isoquinoline-6-carboxamide;hydrochloride (CID 162326995) is 4-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]isoquinoline-6-carboxamide;hydrochloride.
What is the SMILES notation for 4-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]isoquinoline-6-carboxamide;hydrochloride?
The canonical SMILES for 4-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]isoquinoline-6-carboxamide;hydrochloride is Cl.NC(=O)c1ccc2cncc(N3CCC(OCC(=O)N4CCOCC4)CC3)c2c1.
What is the InChIKey of 4-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]isoquinoline-6-carboxamide;hydrochloride?
The InChIKey is MCCPPLLDPFXNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4.ClH/c22-21(27)15-1-2-16-12-23-13-19(18(16)11-15)24-5-3-17(4-6-24)29-14-20(26)25-7-9-28-10-8-25;/h1-2,11-13,17H,3-10,14H2,(H2,22,27);1H.
What are the key properties of 4-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]isoquinoline-6-carboxamide;hydrochloride?
4-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]isoquinoline-6-carboxamide;hydrochloride has a molecular weight of 434.92 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]isoquinoline-6-carboxamide;hydrochloride is sourced from PubChem (CID 162326995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).