2-(1,3-dihydroisoindol-2-yl)-N-[(3S,4R)-4-hydroxypiperidin-3-yl]acetamide;dihydrochloride

C15H23Cl2N3O2 — CID 154910241

IUPAC2-(1,3-dihydroisoindol-2-yl)-N-[(3S,4R)-4-hydroxypiperidin-3-yl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CN1Cc2ccccc2C1)N[C@H]1CNCC[C@H]1O
InChIInChI=1S/C15H21N3O2.2ClH/c19-14-5-6-16-7-13(14)17-15(20)10-18-8-11-3-1-2-4-12(11)9-18;;/h1-4,13-14,16,19H,5-10H2,(H,17,20);2*1H/t13-,14+;;/m0../s1
InChIKeyKVDXZSBNHCMERM-WICJZZOFSA-N
MW348.27 g/mol
LogP0.68
Rot. Bonds3

About 2-(1,3-dihydroisoindol-2-yl)-N-[(3S,4R)-4-hydroxypiperidin-3-yl]acetamide;dihydrochloride

2-(1,3-dihydroisoindol-2-yl)-N-[(3S,4R)-4-hydroxypiperidin-3-yl]acetamide;dihydrochloride (PubChem CID 154910241) has the molecular formula C15H23Cl2N3O2 and a molecular weight of 348.27 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-N-[(3S,4R)-4-hydroxypiperidin-3-yl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-N-[(3S,4R)-4-hydroxypiperidin-3-yl]acetamide;dihydrochloride
PubChem CID154910241
Molecular FormulaC15H23Cl2N3O2
Molecular Weight348.27 g/mol
Exact Mass347.12
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-N-[(3S,4R)-4-hydroxypiperidin-3-yl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CN1Cc2ccccc2C1)N[C@H]1CNCC[C@H]1O
InChIInChI=1S/C15H21N3O2.2ClH/c19-14-5-6-16-7-13(14)17-15(20)10-18-8-11-3-1-2-4-12(11)9-18;;/h1-4,13-14,16,19H,5-10H2,(H,17,20);2*1H/t13-,14+;;/m0../s1
InChIKeyKVDXZSBNHCMERM-WICJZZOFSA-N
XLogP0.68
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-N-[(3S,4R)-4-hydroxypiperidin-3-yl]acetamide;dihydrochloride?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-N-[(3S,4R)-4-hydroxypiperidin-3-yl]acetamide;dihydrochloride (CID 154910241) is 2-(1,3-dihydroisoindol-2-yl)-N-[(3S,4R)-4-hydroxypiperidin-3-yl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-N-[(3S,4R)-4-hydroxypiperidin-3-yl]acetamide;dihydrochloride?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-N-[(3S,4R)-4-hydroxypiperidin-3-yl]acetamide;dihydrochloride is Cl.Cl.O=C(CN1Cc2ccccc2C1)N[C@H]1CNCC[C@H]1O.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-N-[(3S,4R)-4-hydroxypiperidin-3-yl]acetamide;dihydrochloride?
The InChIKey is KVDXZSBNHCMERM-WICJZZOFSA-N. The full InChI is InChI=1S/C15H21N3O2.2ClH/c19-14-5-6-16-7-13(14)17-15(20)10-18-8-11-3-1-2-4-12(11)9-18;;/h1-4,13-14,16,19H,5-10H2,(H,17,20);2*1H/t13-,14+;;/m0../s1.
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-N-[(3S,4R)-4-hydroxypiperidin-3-yl]acetamide;dihydrochloride?
2-(1,3-dihydroisoindol-2-yl)-N-[(3S,4R)-4-hydroxypiperidin-3-yl]acetamide;dihydrochloride has a molecular weight of 348.27 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-N-[(3S,4R)-4-hydroxypiperidin-3-yl]acetamide;dihydrochloride is sourced from PubChem (CID 154910241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).