(3S)-7-hydroxy-N-[(3R)-piperidin-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C15H21N3O2 — CID 166318791

IUPAC(3S)-7-hydroxy-N-[(3R)-piperidin-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(N[C@@H]1CCCNC1)[C@@H]1Cc2ccc(O)cc2CN1
InChIInChI=1S/C15H21N3O2/c19-13-4-3-10-7-14(17-8-11(10)6-13)15(20)18-12-2-1-5-16-9-12/h3-4,6,12,14,16-17,19H,1-2,5,7-9H2,(H,18,20)/t12-,14+/m1/s1
InChIKeyGKEXCZDRJNKISX-OCCSQVGLSA-N
MW275.35 g/mol
LogP0.27
Rot. Bonds2

About (3S)-7-hydroxy-N-[(3R)-piperidin-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3S)-7-hydroxy-N-[(3R)-piperidin-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 166318791) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (3S)-7-hydroxy-N-[(3R)-piperidin-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3S)-7-hydroxy-N-[(3R)-piperidin-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID166318791
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(3S)-7-hydroxy-N-[(3R)-piperidin-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(N[C@@H]1CCCNC1)[C@@H]1Cc2ccc(O)cc2CN1
InChIInChI=1S/C15H21N3O2/c19-13-4-3-10-7-14(17-8-11(10)6-13)15(20)18-12-2-1-5-16-9-12/h3-4,6,12,14,16-17,19H,1-2,5,7-9H2,(H,18,20)/t12-,14+/m1/s1
InChIKeyGKEXCZDRJNKISX-OCCSQVGLSA-N
XLogP0.27
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-7-hydroxy-N-[(3R)-piperidin-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3S)-7-hydroxy-N-[(3R)-piperidin-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 166318791) is (3S)-7-hydroxy-N-[(3R)-piperidin-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3S)-7-hydroxy-N-[(3R)-piperidin-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3S)-7-hydroxy-N-[(3R)-piperidin-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is O=C(N[C@@H]1CCCNC1)[C@@H]1Cc2ccc(O)cc2CN1.
What is the InChIKey of (3S)-7-hydroxy-N-[(3R)-piperidin-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is GKEXCZDRJNKISX-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-13-4-3-10-7-14(17-8-11(10)6-13)15(20)18-12-2-1-5-16-9-12/h3-4,6,12,14,16-17,19H,1-2,5,7-9H2,(H,18,20)/t12-,14+/m1/s1.
What are the key properties of (3S)-7-hydroxy-N-[(3R)-piperidin-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3S)-7-hydroxy-N-[(3R)-piperidin-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 0.27, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-hydroxy-N-[(3R)-piperidin-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 166318791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).