7-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride

C17H26ClN5O — CID 3078666

IUPAC7-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
SMILESCN1C(=O)Cc2cnc(N3CCC(N4CCCCC4)CC3)nc21.Cl
InChIInChI=1S/C17H25N5O.ClH/c1-20-15(23)11-13-12-18-17(19-16(13)20)22-9-5-14(6-10-22)21-7-3-2-4-8-21;/h12,14H,2-11H2,1H3;1H
InChIKeyYYOSIIHFCAEBGB-UHFFFAOYSA-N
MW351.88 g/mol
LogP1.87
Rot. Bonds2

About 7-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride

7-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride (PubChem CID 3078666) has the molecular formula C17H26ClN5O and a molecular weight of 351.88 g/mol. Its IUPAC name is 7-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name7-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
PubChem CID3078666
Molecular FormulaC17H26ClN5O
Molecular Weight351.88 g/mol
Exact Mass351.18
IUPAC Name7-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
SMILESCN1C(=O)Cc2cnc(N3CCC(N4CCCCC4)CC3)nc21.Cl
InChIInChI=1S/C17H25N5O.ClH/c1-20-15(23)11-13-12-18-17(19-16(13)20)22-9-5-14(6-10-22)21-7-3-2-4-8-21;/h12,14H,2-11H2,1H3;1H
InChIKeyYYOSIIHFCAEBGB-UHFFFAOYSA-N
XLogP1.87
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
The IUPAC name of 7-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride (CID 3078666) is 7-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 7-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
The canonical SMILES for 7-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride is CN1C(=O)Cc2cnc(N3CCC(N4CCCCC4)CC3)nc21.Cl.
What is the InChIKey of 7-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
The InChIKey is YYOSIIHFCAEBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O.ClH/c1-20-15(23)11-13-12-18-17(19-16(13)20)22-9-5-14(6-10-22)21-7-3-2-4-8-21;/h12,14H,2-11H2,1H3;1H.
What are the key properties of 7-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
7-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 3078666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).