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

C17H26N4O2S — CID 163200059

IUPAC4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]piperidin-2-one
SMILESC[C@@H]1COCCN1C1CC(=O)NC(N2CCCC2c2nccs2)C1
InChIInChI=1S/C17H26N4O2S/c1-12-11-23-7-6-20(12)13-9-15(19-16(22)10-13)21-5-2-3-14(21)17-18-4-8-24-17/h4,8,12-15H,2-3,5-7,9-11H2,1H3,(H,19,22)/t12-,13?,14?,15?/m1/s1
InChIKeyWRSMNJBBAJIRQO-AUXXQLBISA-N
MW350.49 g/mol
LogP1.61
Rot. Bonds3

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

4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]piperidin-2-one (PubChem CID 163200059) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]piperidin-2-one.

Molecular Properties

Compound Name4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]piperidin-2-one
PubChem CID163200059
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]piperidin-2-one
SMILESC[C@@H]1COCCN1C1CC(=O)NC(N2CCCC2c2nccs2)C1
InChIInChI=1S/C17H26N4O2S/c1-12-11-23-7-6-20(12)13-9-15(19-16(22)10-13)21-5-2-3-14(21)17-18-4-8-24-17/h4,8,12-15H,2-3,5-7,9-11H2,1H3,(H,19,22)/t12-,13?,14?,15?/m1/s1
InChIKeyWRSMNJBBAJIRQO-AUXXQLBISA-N
XLogP1.61
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[3-(1,3-Thiazol-2-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one
CID 56818955
1-[1-[3-(1,3-Thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one
CID 56821751
2-morpholin-4-yl-4-[(3R)-piperidin-3-yl]imino-5-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 137279346
1-[1-(2-Methoxyethyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)propyl]urea
CID 72129756
2-morpholin-4-yl-6-[[(3R)-piperidin-3-yl]amino]-5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-pyrimidin-4-one
CID 145572077
1-N-(1-morpholin-4-ylpropan-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 55911780
1-N-(3-methyl-2-morpholin-4-ylbutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 55912149
N-(2-methoxyethyl)-1'-(1,3-thiazol-2-ylmethyl)-1,4'-bipiperidine-3-carboxamide
CID 56865403
2-(morpholin-4-ylmethyl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide
CID 71868175
1-N-(2-methylpropyl)-3-N-[1-(1,3-thiazol-2-yl)ethyl]piperidine-1,3-dicarboxamide
CID 72001913
1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]-L-prolinamide
CID 91838142
(3R)-N-(2-methoxyethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95486432

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]piperidin-2-one?
The IUPAC name of 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]piperidin-2-one (CID 163200059) is 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]piperidin-2-one.
What is the SMILES notation for 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]piperidin-2-one?
The canonical SMILES for 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]piperidin-2-one is C[C@@H]1COCCN1C1CC(=O)NC(N2CCCC2c2nccs2)C1.
What is the InChIKey of 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]piperidin-2-one?
The InChIKey is WRSMNJBBAJIRQO-AUXXQLBISA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-12-11-23-7-6-20(12)13-9-15(19-16(22)10-13)21-5-2-3-14(21)17-18-4-8-24-17/h4,8,12-15H,2-3,5-7,9-11H2,1H3,(H,19,22)/t12-,13?,14?,15?/m1/s1.
What are the key properties of 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]piperidin-2-one?
4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]piperidin-2-one has a molecular weight of 350.49 g/mol, XLogP of 1.61, 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-(1,3-thiazol-2-yl)pyrrolidin-1-yl]piperidin-2-one is sourced from PubChem (CID 163200059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).