[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone

C20H32N4O2S — CID 126813722

IUPAC[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
SMILESCc1nc(CN2CCC(C(=O)N3CC[C@@H](N4CCOCC4)[C@H]3C)CC2)cs1
InChIInChI=1S/C20H32N4O2S/c1-15-19(23-9-11-26-12-10-23)5-8-24(15)20(25)17-3-6-22(7-4-17)13-18-14-27-16(2)21-18/h14-15,17,19H,3-13H2,1-2H3/t15-,19-/m1/s1
InChIKeyOYWWQMQANDQYLK-DNVCBOLYSA-N
MW392.57 g/mol
LogP1.99
Rot. Bonds4

About [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone

[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone (PubChem CID 126813722) has the molecular formula C20H32N4O2S and a molecular weight of 392.57 g/mol. Its IUPAC name is [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
PubChem CID126813722
Molecular FormulaC20H32N4O2S
Molecular Weight392.57 g/mol
Exact Mass392.22
IUPAC Name[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
SMILESCc1nc(CN2CCC(C(=O)N3CC[C@@H](N4CCOCC4)[C@H]3C)CC2)cs1
InChIInChI=1S/C20H32N4O2S/c1-15-19(23-9-11-26-12-10-23)5-8-24(15)20(25)17-3-6-22(7-4-17)13-18-14-27-16(2)21-18/h14-15,17,19H,3-13H2,1-2H3/t15-,19-/m1/s1
InChIKeyOYWWQMQANDQYLK-DNVCBOLYSA-N
XLogP1.99
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone with MolForge

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Related Compounds

(2,3-dimethylpiperazin-1-yl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 120569400
[2-(aminomethyl)pyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 119631993
ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
CID 21202811
[2-(methylaminomethyl)pyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 119649633
cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 110714326
N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 56538529
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
N-cyclohexyl-4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]piperazine-1-carboxamide
CID 56514845
[3-(methylamino)piperidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 119489323
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-piperidin-4-ylmethanone
CID 60963485
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 155981120
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(4-phenyloxan-4-yl)piperidine-4-carboxamide
CID 139000344

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone?
The IUPAC name of [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone (CID 126813722) is [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone.
What is the SMILES notation for [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone?
The canonical SMILES for [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone is Cc1nc(CN2CCC(C(=O)N3CC[C@@H](N4CCOCC4)[C@H]3C)CC2)cs1.
What is the InChIKey of [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone?
The InChIKey is OYWWQMQANDQYLK-DNVCBOLYSA-N. The full InChI is InChI=1S/C20H32N4O2S/c1-15-19(23-9-11-26-12-10-23)5-8-24(15)20(25)17-3-6-22(7-4-17)13-18-14-27-16(2)21-18/h14-15,17,19H,3-13H2,1-2H3/t15-,19-/m1/s1.
What are the key properties of [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone?
[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone has a molecular weight of 392.57 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 126813722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).