6-[(2S)-2-(1,5-dimethylpyrazol-3-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one

C19H31N5O2 — CID 163200025

IUPAC6-[(2S)-2-(1,5-dimethylpyrazol-3-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
SMILESCc1cc([C@@H]2CCCN2C2CC(N3CCOC[C@H]3C)CC(=O)N2)nn1C
InChIInChI=1S/C19H31N5O2/c1-13-9-16(21-22(13)3)17-5-4-6-24(17)18-10-15(11-19(25)20-18)23-7-8-26-12-14(23)2/h9,14-15,17-18H,4-8,10-12H2,1-3H3,(H,20,25)/t14-,15?,17+,18?/m1/s1
InChIKeySVVARAYPHTUFMV-JOKDJRIQSA-N
MW361.49 g/mol
LogP1.19
Rot. Bonds3

About 6-[(2S)-2-(1,5-dimethylpyrazol-3-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one

6-[(2S)-2-(1,5-dimethylpyrazol-3-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one (PubChem CID 163200025) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 6-[(2S)-2-(1,5-dimethylpyrazol-3-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name6-[(2S)-2-(1,5-dimethylpyrazol-3-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
PubChem CID163200025
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name6-[(2S)-2-(1,5-dimethylpyrazol-3-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
SMILESCc1cc([C@@H]2CCCN2C2CC(N3CCOC[C@H]3C)CC(=O)N2)nn1C
InChIInChI=1S/C19H31N5O2/c1-13-9-16(21-22(13)3)17-5-4-6-24(17)18-10-15(11-19(25)20-18)23-7-8-26-12-14(23)2/h9,14-15,17-18H,4-8,10-12H2,1-3H3,(H,20,25)/t14-,15?,17+,18?/m1/s1
InChIKeySVVARAYPHTUFMV-JOKDJRIQSA-N
XLogP1.19
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-(1,5-dimethylpyrazol-3-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
The IUPAC name of 6-[(2S)-2-(1,5-dimethylpyrazol-3-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one (CID 163200025) is 6-[(2S)-2-(1,5-dimethylpyrazol-3-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one.
What is the SMILES notation for 6-[(2S)-2-(1,5-dimethylpyrazol-3-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
The canonical SMILES for 6-[(2S)-2-(1,5-dimethylpyrazol-3-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one is Cc1cc([C@@H]2CCCN2C2CC(N3CCOC[C@H]3C)CC(=O)N2)nn1C.
What is the InChIKey of 6-[(2S)-2-(1,5-dimethylpyrazol-3-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
The InChIKey is SVVARAYPHTUFMV-JOKDJRIQSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-13-9-16(21-22(13)3)17-5-4-6-24(17)18-10-15(11-19(25)20-18)23-7-8-26-12-14(23)2/h9,14-15,17-18H,4-8,10-12H2,1-3H3,(H,20,25)/t14-,15?,17+,18?/m1/s1.
What are the key properties of 6-[(2S)-2-(1,5-dimethylpyrazol-3-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
6-[(2S)-2-(1,5-dimethylpyrazol-3-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one has a molecular weight of 361.49 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-(1,5-dimethylpyrazol-3-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one is sourced from PubChem (CID 163200025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).