1-[2-[4-hydroxy-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride

C19H25ClN4O3 — CID 118741907

IUPAC1-[2-[4-hydroxy-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride
SMILESCl.O=C(CN1CCCC1=O)N1CCC(O)(Cn2ccc3ccncc32)CC1
InChIInChI=1S/C19H24N4O3.ClH/c24-17-2-1-8-22(17)13-18(25)21-10-5-19(26,6-11-21)14-23-9-4-15-3-7-20-12-16(15)23;/h3-4,7,9,12,26H,1-2,5-6,8,10-11,13-14H2;1H
InChIKeyXYDXFJGUHWOYCP-UHFFFAOYSA-N
MW392.89 g/mol
LogP1.43
Rot. Bonds4

About 1-[2-[4-hydroxy-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride

1-[2-[4-hydroxy-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride (PubChem CID 118741907) has the molecular formula C19H25ClN4O3 and a molecular weight of 392.89 g/mol. Its IUPAC name is 1-[2-[4-hydroxy-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[2-[4-hydroxy-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride
PubChem CID118741907
Molecular FormulaC19H25ClN4O3
Molecular Weight392.89 g/mol
Exact Mass392.16
IUPAC Name1-[2-[4-hydroxy-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride
SMILESCl.O=C(CN1CCCC1=O)N1CCC(O)(Cn2ccc3ccncc32)CC1
InChIInChI=1S/C19H24N4O3.ClH/c24-17-2-1-8-22(17)13-18(25)21-10-5-19(26,6-11-21)14-23-9-4-15-3-7-20-12-16(15)23;/h3-4,7,9,12,26H,1-2,5-6,8,10-11,13-14H2;1H
InChIKeyXYDXFJGUHWOYCP-UHFFFAOYSA-N
XLogP1.43
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-hydroxy-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-[2-[4-hydroxy-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride (CID 118741907) is 1-[2-[4-hydroxy-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[2-[4-hydroxy-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-[2-[4-hydroxy-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride is Cl.O=C(CN1CCCC1=O)N1CCC(O)(Cn2ccc3ccncc32)CC1.
What is the InChIKey of 1-[2-[4-hydroxy-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride?
The InChIKey is XYDXFJGUHWOYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3.ClH/c24-17-2-1-8-22(17)13-18(25)21-10-5-19(26,6-11-21)14-23-9-4-15-3-7-20-12-16(15)23;/h3-4,7,9,12,26H,1-2,5-6,8,10-11,13-14H2;1H.
What are the key properties of 1-[2-[4-hydroxy-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride?
1-[2-[4-hydroxy-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride has a molecular weight of 392.89 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-hydroxy-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 118741907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).