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

C19H25N3O3 — CID 118414714

IUPAC1-[[(3R)-piperidin-3-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
SMILESCC(C)Oc1cc2c(OC[C@@H]3CCCNC3)nccc2cc1C(N)=O
InChIInChI=1S/C19H25N3O3/c1-12(2)25-17-9-15-14(8-16(17)18(20)23)5-7-22-19(15)24-11-13-4-3-6-21-10-13/h5,7-9,12-13,21H,3-4,6,10-11H2,1-2H3,(H2,20,23)/t13-/m1/s1
InChIKeyIHMJXFBIRRLHLD-CYBMUJFWSA-N
MW343.43 g/mol
LogP2.50
Rot. Bonds6

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

1-[[(3R)-piperidin-3-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide (PubChem CID 118414714) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[[(3R)-piperidin-3-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide.

Molecular Properties

Compound Name1-[[(3R)-piperidin-3-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
PubChem CID118414714
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[[(3R)-piperidin-3-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
SMILESCC(C)Oc1cc2c(OC[C@@H]3CCCNC3)nccc2cc1C(N)=O
InChIInChI=1S/C19H25N3O3/c1-12(2)25-17-9-15-14(8-16(17)18(20)23)5-7-22-19(15)24-11-13-4-3-6-21-10-13/h5,7-9,12-13,21H,3-4,6,10-11H2,1-2H3,(H2,20,23)/t13-/m1/s1
InChIKeyIHMJXFBIRRLHLD-CYBMUJFWSA-N
XLogP2.50
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.50
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]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide?
The IUPAC name of 1-[[(3R)-piperidin-3-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide (CID 118414714) is 1-[[(3R)-piperidin-3-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide.
What is the SMILES notation for 1-[[(3R)-piperidin-3-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide?
The canonical SMILES for 1-[[(3R)-piperidin-3-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide is CC(C)Oc1cc2c(OC[C@@H]3CCCNC3)nccc2cc1C(N)=O.
What is the InChIKey of 1-[[(3R)-piperidin-3-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide?
The InChIKey is IHMJXFBIRRLHLD-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12(2)25-17-9-15-14(8-16(17)18(20)23)5-7-22-19(15)24-11-13-4-3-6-21-10-13/h5,7-9,12-13,21H,3-4,6,10-11H2,1-2H3,(H2,20,23)/t13-/m1/s1.
What are the key properties of 1-[[(3R)-piperidin-3-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide?
1-[[(3R)-piperidin-3-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.50, 6 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]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide is sourced from PubChem (CID 118414714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).