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

C18H29N5O2 — CID 163200021

IUPAC4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-2-one
SMILESC[C@@H]1COCCN1C1CC(=O)NC(N2CCCC2c2cnn(C)c2)C1
InChIInChI=1S/C18H29N5O2/c1-13-12-25-7-6-22(13)15-8-17(20-18(24)9-15)23-5-3-4-16(23)14-10-19-21(2)11-14/h10-11,13,15-17H,3-9,12H2,1-2H3,(H,20,24)/t13-,15?,16?,17?/m1/s1
InChIKeyRUILVVQZTBRCNX-OHVXSQEESA-N
MW347.46 g/mol
LogP0.88
Rot. Bonds3

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

4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-2-one (PubChem CID 163200021) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-2-one.

Molecular Properties

Compound Name4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-2-one
PubChem CID163200021
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-2-one
SMILESC[C@@H]1COCCN1C1CC(=O)NC(N2CCCC2c2cnn(C)c2)C1
InChIInChI=1S/C18H29N5O2/c1-13-12-25-7-6-22(13)15-8-17(20-18(24)9-15)23-5-3-4-16(23)14-10-19-21(2)11-14/h10-11,13,15-17H,3-9,12H2,1-2H3,(H,20,24)/t13-,15?,16?,17?/m1/s1
InChIKeyRUILVVQZTBRCNX-OHVXSQEESA-N
XLogP0.88
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

US11179399, Example 19_1
CID 163200022
US11179399, Example 19_2
CID 163200023
rac-(4R,5S)-4-(aminomethyl)-1-(2-methoxyethyl)-5-(1-methyl-1H-pyrazol-4-yl)pyrrolidin-2-one
CID 122164147
(2S)-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 71969908
N-cyclopropyl-4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 118739348
(3R*,5S*)-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-5-(morpholin-4-ylcarbonyl)piperidine-3-carboxamide
CID 72849017
(4S,5R)-4-(aminomethyl)-1-(2-methoxyethyl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]pyrrolidin-2-one
CID 91662775
1-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]urea
CID 164629792
3-fluoro-N-[[(2S,3R)-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]piperidine-1-carboxamide
CID 126826716
(3R*,5R*)-N-methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-5-(morpholin-4-ylcarbonyl)piperidine-3-carboxamide
CID 72915181
6-[1-(3-Methoxypropyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione
CID 122538048
6-[1-(2-Methoxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione
CID 122538050

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-2-one?
The IUPAC name of 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-2-one (CID 163200021) is 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-2-one.
What is the SMILES notation for 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-2-one?
The canonical SMILES for 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-2-one is C[C@@H]1COCCN1C1CC(=O)NC(N2CCCC2c2cnn(C)c2)C1.
What is the InChIKey of 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-2-one?
The InChIKey is RUILVVQZTBRCNX-OHVXSQEESA-N. The full InChI is InChI=1S/C18H29N5O2/c1-13-12-25-7-6-22(13)15-8-17(20-18(24)9-15)23-5-3-4-16(23)14-10-19-21(2)11-14/h10-11,13,15-17H,3-9,12H2,1-2H3,(H,20,24)/t13-,15?,16?,17?/m1/s1.
What are the key properties of 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-2-one?
4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-2-one has a molecular weight of 347.46 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-2-one is sourced from PubChem (CID 163200021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).