4-hydroxy-N-(6-piperidin-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride

C15H24Cl2N4O2 — CID 119840261

IUPAC4-hydroxy-N-(6-piperidin-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(N2CCCCC2)nc1)C1CC(O)CN1
InChIInChI=1S/C15H22N4O2.2ClH/c20-12-8-13(16-10-12)15(21)18-11-4-5-14(17-9-11)19-6-2-1-3-7-19;;/h4-5,9,12-13,16,20H,1-3,6-8,10H2,(H,18,21);2*1H
InChIKeyPZEKKBGROGPJLA-UHFFFAOYSA-N
MW363.29 g/mol
LogP1.58
Rot. Bonds3

About 4-hydroxy-N-(6-piperidin-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride

4-hydroxy-N-(6-piperidin-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119840261) has the molecular formula C15H24Cl2N4O2 and a molecular weight of 363.29 g/mol. Its IUPAC name is 4-hydroxy-N-(6-piperidin-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-hydroxy-N-(6-piperidin-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119840261
Molecular FormulaC15H24Cl2N4O2
Molecular Weight363.29 g/mol
Exact Mass362.13
IUPAC Name4-hydroxy-N-(6-piperidin-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(N2CCCCC2)nc1)C1CC(O)CN1
InChIInChI=1S/C15H22N4O2.2ClH/c20-12-8-13(16-10-12)15(21)18-11-4-5-14(17-9-11)19-6-2-1-3-7-19;;/h4-5,9,12-13,16,20H,1-3,6-8,10H2,(H,18,21);2*1H
InChIKeyPZEKKBGROGPJLA-UHFFFAOYSA-N
XLogP1.58
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(6-piperidin-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of 4-hydroxy-N-(6-piperidin-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride (CID 119840261) is 4-hydroxy-N-(6-piperidin-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 4-hydroxy-N-(6-piperidin-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for 4-hydroxy-N-(6-piperidin-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc(N2CCCCC2)nc1)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-(6-piperidin-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is PZEKKBGROGPJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2.2ClH/c20-12-8-13(16-10-12)15(21)18-11-4-5-14(17-9-11)19-6-2-1-3-7-19;;/h4-5,9,12-13,16,20H,1-3,6-8,10H2,(H,18,21);2*1H.
What are the key properties of 4-hydroxy-N-(6-piperidin-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride?
4-hydroxy-N-(6-piperidin-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 363.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(6-piperidin-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119840261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).