(3S)-1-(1-methylpyrazol-3-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]piperidin-2-one

C17H23N5O — CID 99820388

IUPAC(3S)-1-(1-methylpyrazol-3-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]piperidin-2-one
SMILESCN(CCc1ccncc1)[C@H]1CCCN(c2ccn(C)n2)C1=O
InChIInChI=1S/C17H23N5O/c1-20(12-7-14-5-9-18-10-6-14)15-4-3-11-22(17(15)23)16-8-13-21(2)19-16/h5-6,8-10,13,15H,3-4,7,11-12H2,1-2H3/t15-/m0/s1
InChIKeyACKYREYVVGPUJS-HNNXBMFYSA-N
MW313.40 g/mol
LogP1.49
Rot. Bonds5

About (3S)-1-(1-methylpyrazol-3-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]piperidin-2-one

(3S)-1-(1-methylpyrazol-3-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]piperidin-2-one (PubChem CID 99820388) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is (3S)-1-(1-methylpyrazol-3-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]piperidin-2-one.

Molecular Properties

Compound Name(3S)-1-(1-methylpyrazol-3-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]piperidin-2-one
PubChem CID99820388
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name(3S)-1-(1-methylpyrazol-3-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]piperidin-2-one
SMILESCN(CCc1ccncc1)[C@H]1CCCN(c2ccn(C)n2)C1=O
InChIInChI=1S/C17H23N5O/c1-20(12-7-14-5-9-18-10-6-14)15-4-3-11-22(17(15)23)16-8-13-21(2)19-16/h5-6,8-10,13,15H,3-4,7,11-12H2,1-2H3/t15-/m0/s1
InChIKeyACKYREYVVGPUJS-HNNXBMFYSA-N
XLogP1.49
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1-methylpyrazol-3-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]piperidin-2-one?
The IUPAC name of (3S)-1-(1-methylpyrazol-3-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]piperidin-2-one (CID 99820388) is (3S)-1-(1-methylpyrazol-3-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]piperidin-2-one.
What is the SMILES notation for (3S)-1-(1-methylpyrazol-3-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]piperidin-2-one?
The canonical SMILES for (3S)-1-(1-methylpyrazol-3-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]piperidin-2-one is CN(CCc1ccncc1)[C@H]1CCCN(c2ccn(C)n2)C1=O.
What is the InChIKey of (3S)-1-(1-methylpyrazol-3-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]piperidin-2-one?
The InChIKey is ACKYREYVVGPUJS-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-20(12-7-14-5-9-18-10-6-14)15-4-3-11-22(17(15)23)16-8-13-21(2)19-16/h5-6,8-10,13,15H,3-4,7,11-12H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-1-(1-methylpyrazol-3-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]piperidin-2-one?
(3S)-1-(1-methylpyrazol-3-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]piperidin-2-one has a molecular weight of 313.40 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1-methylpyrazol-3-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]piperidin-2-one is sourced from PubChem (CID 99820388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).