(3S,4R)-3-hydroxy-2,2-dimethyl-4-piperidin-1-yl-3,4-dihydrochromene-6-carboxamide

C17H24N2O3 — CID 13223070

IUPAC(3S,4R)-3-hydroxy-2,2-dimethyl-4-piperidin-1-yl-3,4-dihydrochromene-6-carboxamide
SMILESCC1(C)Oc2ccc(C(N)=O)cc2[C@@H](N2CCCCC2)[C@@H]1O
InChIInChI=1S/C17H24N2O3/c1-17(2)15(20)14(19-8-4-3-5-9-19)12-10-11(16(18)21)6-7-13(12)22-17/h6-7,10,14-15,20H,3-5,8-9H2,1-2H3,(H2,18,21)/t14-,15+/m1/s1
InChIKeyBRZLIINFOFCAEJ-CABCVRRESA-N
MW304.39 g/mol
LogP1.84
Rot. Bonds2

About (3S,4R)-3-hydroxy-2,2-dimethyl-4-piperidin-1-yl-3,4-dihydrochromene-6-carboxamide

(3S,4R)-3-hydroxy-2,2-dimethyl-4-piperidin-1-yl-3,4-dihydrochromene-6-carboxamide (PubChem CID 13223070) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (3S,4R)-3-hydroxy-2,2-dimethyl-4-piperidin-1-yl-3,4-dihydrochromene-6-carboxamide.

Molecular Properties

Compound Name(3S,4R)-3-hydroxy-2,2-dimethyl-4-piperidin-1-yl-3,4-dihydrochromene-6-carboxamide
PubChem CID13223070
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(3S,4R)-3-hydroxy-2,2-dimethyl-4-piperidin-1-yl-3,4-dihydrochromene-6-carboxamide
SMILESCC1(C)Oc2ccc(C(N)=O)cc2[C@@H](N2CCCCC2)[C@@H]1O
InChIInChI=1S/C17H24N2O3/c1-17(2)15(20)14(19-8-4-3-5-9-19)12-10-11(16(18)21)6-7-13(12)22-17/h6-7,10,14-15,20H,3-5,8-9H2,1-2H3,(H2,18,21)/t14-,15+/m1/s1
InChIKeyBRZLIINFOFCAEJ-CABCVRRESA-N
XLogP1.84
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S,4R)-3-hydroxy-2,2-dimethyl-4-piperidin-1-yl-3,4-dihydrochromene-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-hydroxy-2,2-dimethyl-4-piperidin-1-yl-3,4-dihydrochromene-6-carboxamide?
The IUPAC name of (3S,4R)-3-hydroxy-2,2-dimethyl-4-piperidin-1-yl-3,4-dihydrochromene-6-carboxamide (CID 13223070) is (3S,4R)-3-hydroxy-2,2-dimethyl-4-piperidin-1-yl-3,4-dihydrochromene-6-carboxamide.
What is the SMILES notation for (3S,4R)-3-hydroxy-2,2-dimethyl-4-piperidin-1-yl-3,4-dihydrochromene-6-carboxamide?
The canonical SMILES for (3S,4R)-3-hydroxy-2,2-dimethyl-4-piperidin-1-yl-3,4-dihydrochromene-6-carboxamide is CC1(C)Oc2ccc(C(N)=O)cc2[C@@H](N2CCCCC2)[C@@H]1O.
What is the InChIKey of (3S,4R)-3-hydroxy-2,2-dimethyl-4-piperidin-1-yl-3,4-dihydrochromene-6-carboxamide?
The InChIKey is BRZLIINFOFCAEJ-CABCVRRESA-N. The full InChI is InChI=1S/C17H24N2O3/c1-17(2)15(20)14(19-8-4-3-5-9-19)12-10-11(16(18)21)6-7-13(12)22-17/h6-7,10,14-15,20H,3-5,8-9H2,1-2H3,(H2,18,21)/t14-,15+/m1/s1.
What are the key properties of (3S,4R)-3-hydroxy-2,2-dimethyl-4-piperidin-1-yl-3,4-dihydrochromene-6-carboxamide?
(3S,4R)-3-hydroxy-2,2-dimethyl-4-piperidin-1-yl-3,4-dihydrochromene-6-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-hydroxy-2,2-dimethyl-4-piperidin-1-yl-3,4-dihydrochromene-6-carboxamide is sourced from PubChem (CID 13223070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).