[4-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]phenyl]-morpholin-4-ylmethanone

C21H28N4O2S — CID 118757978

IUPAC[4-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]phenyl]-morpholin-4-ylmethanone
SMILESCc1nc(CNC2CCN(c3ccc(C(=O)N4CCOCC4)cc3)CC2)cs1
InChIInChI=1S/C21H28N4O2S/c1-16-23-19(15-28-16)14-22-18-6-8-24(9-7-18)20-4-2-17(3-5-20)21(26)25-10-12-27-13-11-25/h2-5,15,18,22H,6-14H2,1H3
InChIKeyUOCANWFQCRGIFI-UHFFFAOYSA-N
MW400.55 g/mol
LogP2.68
Rot. Bonds5

About [4-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]phenyl]-morpholin-4-ylmethanone

[4-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 118757978) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is [4-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID118757978
Molecular FormulaC21H28N4O2S
Molecular Weight400.55 g/mol
Exact Mass400.19
IUPAC Name[4-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]phenyl]-morpholin-4-ylmethanone
SMILESCc1nc(CNC2CCN(c3ccc(C(=O)N4CCOCC4)cc3)CC2)cs1
InChIInChI=1S/C21H28N4O2S/c1-16-23-19(15-28-16)14-22-18-6-8-24(9-7-18)20-4-2-17(3-5-20)21(26)25-10-12-27-13-11-25/h2-5,15,18,22H,6-14H2,1H3
InChIKeyUOCANWFQCRGIFI-UHFFFAOYSA-N
XLogP2.68
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]phenyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
CID 43609962
[4-[(2-ethyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone
CID 47619089
[4-[4-(1,3-benzodioxol-5-ylmethylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone
CID 26361591
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 46969503
1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43215967
2-methoxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]ethanone
CID 43747634
1-(3-methylbut-2-enyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 61282827
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
CID 63335816
[4-[(2-cyclohexyl-1,3-thiazol-4-yl)methylamino]phenyl]-morpholin-4-ylmethanone
CID 126783722
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 111520388
2-(2-methyl-1,3-thiazol-4-yl)-1-[2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110264477
morpholin-4-yl-[4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]phenyl]methanone
CID 45205688

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]phenyl]-morpholin-4-ylmethanone (CID 118757978) is [4-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]phenyl]-morpholin-4-ylmethanone is Cc1nc(CNC2CCN(c3ccc(C(=O)N4CCOCC4)cc3)CC2)cs1.
What is the InChIKey of [4-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is UOCANWFQCRGIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2S/c1-16-23-19(15-28-16)14-22-18-6-8-24(9-7-18)20-4-2-17(3-5-20)21(26)25-10-12-27-13-11-25/h2-5,15,18,22H,6-14H2,1H3.
What are the key properties of [4-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]phenyl]-morpholin-4-ylmethanone?
[4-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 400.55 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118757978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).