6-[2-(1-ethylpyrazol-3-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one

C19H31N5O2 — CID 163200027

IUPAC6-[2-(1-ethylpyrazol-3-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
SMILESCCn1ccc(C2CCCN2C2CC(N3CCOC[C@H]3C)CC(=O)N2)n1
InChIInChI=1S/C19H31N5O2/c1-3-22-8-6-16(21-22)17-5-4-7-24(17)18-11-15(12-19(25)20-18)23-9-10-26-13-14(23)2/h6,8,14-15,17-18H,3-5,7,9-13H2,1-2H3,(H,20,25)/t14-,15?,17?,18?/m1/s1
InChIKeyLAYXPZCONJSKBT-LOEGYKASSA-N
MW361.49 g/mol
LogP1.37
Rot. Bonds4

About 6-[2-(1-ethylpyrazol-3-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one

6-[2-(1-ethylpyrazol-3-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one (PubChem CID 163200027) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 6-[2-(1-ethylpyrazol-3-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name6-[2-(1-ethylpyrazol-3-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
PubChem CID163200027
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name6-[2-(1-ethylpyrazol-3-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
SMILESCCn1ccc(C2CCCN2C2CC(N3CCOC[C@H]3C)CC(=O)N2)n1
InChIInChI=1S/C19H31N5O2/c1-3-22-8-6-16(21-22)17-5-4-7-24(17)18-11-15(12-19(25)20-18)23-9-10-26-13-14(23)2/h6,8,14-15,17-18H,3-5,7,9-13H2,1-2H3,(H,20,25)/t14-,15?,17?,18?/m1/s1
InChIKeyLAYXPZCONJSKBT-LOEGYKASSA-N
XLogP1.37
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-ethylpyrazol-3-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
The IUPAC name of 6-[2-(1-ethylpyrazol-3-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one (CID 163200027) is 6-[2-(1-ethylpyrazol-3-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one.
What is the SMILES notation for 6-[2-(1-ethylpyrazol-3-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
The canonical SMILES for 6-[2-(1-ethylpyrazol-3-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one is CCn1ccc(C2CCCN2C2CC(N3CCOC[C@H]3C)CC(=O)N2)n1.
What is the InChIKey of 6-[2-(1-ethylpyrazol-3-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
The InChIKey is LAYXPZCONJSKBT-LOEGYKASSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-3-22-8-6-16(21-22)17-5-4-7-24(17)18-11-15(12-19(25)20-18)23-9-10-26-13-14(23)2/h6,8,14-15,17-18H,3-5,7,9-13H2,1-2H3,(H,20,25)/t14-,15?,17?,18?/m1/s1.
What are the key properties of 6-[2-(1-ethylpyrazol-3-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
6-[2-(1-ethylpyrazol-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 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-ethylpyrazol-3-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one is sourced from PubChem (CID 163200027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).