1-[(3R)-piperidin-3-yl]oxy-7-propan-2-yloxyisoquinoline-6-carboxamide

C18H23N3O3 — CID 126573669

IUPAC1-[(3R)-piperidin-3-yl]oxy-7-propan-2-yloxyisoquinoline-6-carboxamide
SMILESCC(C)Oc1cc2c(O[C@@H]3CCCNC3)nccc2cc1C(N)=O
InChIInChI=1S/C18H23N3O3/c1-11(2)23-16-9-14-12(8-15(16)17(19)22)5-7-21-18(14)24-13-4-3-6-20-10-13/h5,7-9,11,13,20H,3-4,6,10H2,1-2H3,(H2,19,22)/t13-/m1/s1
InChIKeyIGHCPQNSSZGPEV-CYBMUJFWSA-N
MW329.40 g/mol
LogP2.25
Rot. Bonds5

About 1-[(3R)-piperidin-3-yl]oxy-7-propan-2-yloxyisoquinoline-6-carboxamide

1-[(3R)-piperidin-3-yl]oxy-7-propan-2-yloxyisoquinoline-6-carboxamide (PubChem CID 126573669) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[(3R)-piperidin-3-yl]oxy-7-propan-2-yloxyisoquinoline-6-carboxamide.

Molecular Properties

Compound Name1-[(3R)-piperidin-3-yl]oxy-7-propan-2-yloxyisoquinoline-6-carboxamide
PubChem CID126573669
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[(3R)-piperidin-3-yl]oxy-7-propan-2-yloxyisoquinoline-6-carboxamide
SMILESCC(C)Oc1cc2c(O[C@@H]3CCCNC3)nccc2cc1C(N)=O
InChIInChI=1S/C18H23N3O3/c1-11(2)23-16-9-14-12(8-15(16)17(19)22)5-7-21-18(14)24-13-4-3-6-20-10-13/h5,7-9,11,13,20H,3-4,6,10H2,1-2H3,(H2,19,22)/t13-/m1/s1
InChIKeyIGHCPQNSSZGPEV-CYBMUJFWSA-N
XLogP2.25
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-piperidin-3-yl]oxy-7-propan-2-yloxyisoquinoline-6-carboxamide?
The IUPAC name of 1-[(3R)-piperidin-3-yl]oxy-7-propan-2-yloxyisoquinoline-6-carboxamide (CID 126573669) is 1-[(3R)-piperidin-3-yl]oxy-7-propan-2-yloxyisoquinoline-6-carboxamide.
What is the SMILES notation for 1-[(3R)-piperidin-3-yl]oxy-7-propan-2-yloxyisoquinoline-6-carboxamide?
The canonical SMILES for 1-[(3R)-piperidin-3-yl]oxy-7-propan-2-yloxyisoquinoline-6-carboxamide is CC(C)Oc1cc2c(O[C@@H]3CCCNC3)nccc2cc1C(N)=O.
What is the InChIKey of 1-[(3R)-piperidin-3-yl]oxy-7-propan-2-yloxyisoquinoline-6-carboxamide?
The InChIKey is IGHCPQNSSZGPEV-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-11(2)23-16-9-14-12(8-15(16)17(19)22)5-7-21-18(14)24-13-4-3-6-20-10-13/h5,7-9,11,13,20H,3-4,6,10H2,1-2H3,(H2,19,22)/t13-/m1/s1.
What are the key properties of 1-[(3R)-piperidin-3-yl]oxy-7-propan-2-yloxyisoquinoline-6-carboxamide?
1-[(3R)-piperidin-3-yl]oxy-7-propan-2-yloxyisoquinoline-6-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-piperidin-3-yl]oxy-7-propan-2-yloxyisoquinoline-6-carboxamide is sourced from PubChem (CID 126573669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).