1-(cyclopropylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one

C16H24N4O2 — CID 45210551

IUPAC1-(cyclopropylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one
SMILESO=C1N(CC2CC2)CCCC1(O)CN1CCc2[nH]ncc2C1
InChIInChI=1S/C16H24N4O2/c21-15-16(22,5-1-6-20(15)9-12-2-3-12)11-19-7-4-14-13(10-19)8-17-18-14/h8,12,22H,1-7,9-11H2,(H,17,18)
InChIKeyKJBBLGVBUZVRKZ-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.53
Rot. Bonds4

About 1-(cyclopropylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one

1-(cyclopropylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one (PubChem CID 45210551) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one
PubChem CID45210551
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-(cyclopropylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one
SMILESO=C1N(CC2CC2)CCCC1(O)CN1CCc2[nH]ncc2C1
InChIInChI=1S/C16H24N4O2/c21-15-16(22,5-1-6-20(15)9-12-2-3-12)11-19-7-4-14-13(10-19)8-17-18-14/h8,12,22H,1-7,9-11H2,(H,17,18)
InChIKeyKJBBLGVBUZVRKZ-UHFFFAOYSA-N
XLogP0.53
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(cyclopropylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one with MolForge

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Related Compounds

(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7R)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 126527256
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 126527165
1-(cyclohexylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-ylmethyl)-2-piperidinone
CID 45189221
1-(2,2-dimethylpropyl)-3-hydroxy-3-(1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-ylmethyl)-2-piperidinone
CID 45202380
(3R)-1-(2-cyclohexylethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one
CID 42530364
(3S)-N-cyclopentyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)piperidine-1-carboxamide
CID 95903893
3,3,3-Trifluoro-2-hydroxy-2-methyl-1-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 126527166
3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]propan-1-one
CID 137378997
3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7R)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]propan-1-one
CID 137379013
5-(Cyclopropylcarbonyl)-4,5,6,7-tetrahydro-2h-pyrazolo[4,3-c]pyridine
CID 20784921
(1R,2S)-1-(5-(tert-butoxycarbonyl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-7-carboxamido)-2-vinylcyclopropanecarboxylic acid
CID 59430420
Tert-butyl 7-carbamoyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate
CID 70305538

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one (CID 45210551) is 1-(cyclopropylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one is O=C1N(CC2CC2)CCCC1(O)CN1CCc2[nH]ncc2C1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one?
The InChIKey is KJBBLGVBUZVRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-15-16(22,5-1-6-20(15)9-12-2-3-12)11-19-7-4-14-13(10-19)8-17-18-14/h8,12,22H,1-7,9-11H2,(H,17,18).
What are the key properties of 1-(cyclopropylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one?
1-(cyclopropylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one has a molecular weight of 304.39 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one is sourced from PubChem (CID 45210551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).