2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one

C12H20N4O — CID 105498032

IUPAC2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
SMILESO=c1c2c([nH]n1CC1CCCCN1)CCNC2
InChIInChI=1S/C12H20N4O/c17-12-10-7-13-6-4-11(10)15-16(12)8-9-3-1-2-5-14-9/h9,13-15H,1-8H2
InChIKeyIKDMMFIMLXVDHO-UHFFFAOYSA-N
MW236.32 g/mol
LogP-0.04
Rot. Bonds2

About 2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one

2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one (PubChem CID 105498032) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
PubChem CID105498032
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
SMILESO=c1c2c([nH]n1CC1CCCCN1)CCNC2
InChIInChI=1S/C12H20N4O/c17-12-10-7-13-6-4-11(10)15-16(12)8-9-3-1-2-5-14-9/h9,13-15H,1-8H2
InChIKeyIKDMMFIMLXVDHO-UHFFFAOYSA-N
XLogP-0.04
TPSA61.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(piperidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
CID 105499265
2-cycloheptyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
CID 105496819
5-cyclobutyl-2-(piperidin-2-ylmethyl)-1H-pyrazol-3-one
CID 84727120
1-(piperidin-2-ylmethyl)pyrazolidin-3-one
CID 105440737
1-(piperidin-2-ylmethyl)pyrrolidin-3-one
CID 115016246
4-(piperidin-2-ylmethyl)piperazin-2-one;hydrochloride
CID 156593487
7-(piperidin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane
CID 131123539
3-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 99737469
5-cyclopropyl-2-[[(2S)-pyrrolidin-2-yl]methyl]-1H-pyrazol-3-one
CID 129430772
5-cyclobutyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrazol-3-one
CID 129430763
(5S)-5-(aminomethyl)-3-(piperidin-2-ylmethyl)-1,3-oxazolidin-2-one
CID 115056721
4-methyl-1-(piperidin-2-ylmethyl)pyrrolidin-2-one
CID 63104427

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one (CID 105498032) is 2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one is O=c1c2c([nH]n1CC1CCCCN1)CCNC2.
What is the InChIKey of 2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one?
The InChIKey is IKDMMFIMLXVDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c17-12-10-7-13-6-4-11(10)15-16(12)8-9-3-1-2-5-14-9/h9,13-15H,1-8H2.
What are the key properties of 2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one?
2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 236.32 g/mol, XLogP of -0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 105498032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).