N-[4-methyl-1-[[2-(3-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide

C22H30N4O2S — CID 134805982

IUPACN-[4-methyl-1-[[2-(3-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1(C)CCN(Cc2cnc(-c3cccc(N4CCOCC4)c3)s2)CC1
InChIInChI=1S/C22H30N4O2S/c1-17(27)24-22(2)6-8-25(9-7-22)16-20-15-23-21(29-20)18-4-3-5-19(14-18)26-10-12-28-13-11-26/h3-5,14-15H,6-13,16H2,1-2H3,(H,24,27)
InChIKeyHHSQETHHSKSBEN-UHFFFAOYSA-N
MW414.58 g/mol
LogP3.14
Rot. Bonds5

About N-[4-methyl-1-[[2-(3-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide

N-[4-methyl-1-[[2-(3-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 134805982) has the molecular formula C22H30N4O2S and a molecular weight of 414.58 g/mol. Its IUPAC name is N-[4-methyl-1-[[2-(3-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-1-[[2-(3-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide
PubChem CID134805982
Molecular FormulaC22H30N4O2S
Molecular Weight414.58 g/mol
Exact Mass414.21
IUPAC NameN-[4-methyl-1-[[2-(3-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1(C)CCN(Cc2cnc(-c3cccc(N4CCOCC4)c3)s2)CC1
InChIInChI=1S/C22H30N4O2S/c1-17(27)24-22(2)6-8-25(9-7-22)16-20-15-23-21(29-20)18-4-3-5-19(14-18)26-10-12-28-13-11-26/h3-5,14-15H,6-13,16H2,1-2H3,(H,24,27)
InChIKeyHHSQETHHSKSBEN-UHFFFAOYSA-N
XLogP3.14
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-3-[4-(2-methoxy-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568570
(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)-3-pyridinyl]prop-2-enamide
CID 126568714
(E)-N-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 166626673
1-[5-(3-Morpholin-4-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907657
US11319299, Example 748
CID 138541647
US11319299, Example 751
CID 164608259
N-[1-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide
CID 134809825
1-Methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 51118775
N-(3-morpholin-4-ylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 164610891
N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide
CID 166626821
(E)-3-[4-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568441
(E)-N-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3-[4-(2-methoxy-1,3-thiazol-5-yl)-3-pyridinyl]prop-2-enamide
CID 126568555

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-[[2-(3-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[4-methyl-1-[[2-(3-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide (CID 134805982) is N-[4-methyl-1-[[2-(3-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[4-methyl-1-[[2-(3-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[4-methyl-1-[[2-(3-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide is CC(=O)NC1(C)CCN(Cc2cnc(-c3cccc(N4CCOCC4)c3)s2)CC1.
What is the InChIKey of N-[4-methyl-1-[[2-(3-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is HHSQETHHSKSBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2S/c1-17(27)24-22(2)6-8-25(9-7-22)16-20-15-23-21(29-20)18-4-3-5-19(14-18)26-10-12-28-13-11-26/h3-5,14-15H,6-13,16H2,1-2H3,(H,24,27).
What are the key properties of N-[4-methyl-1-[[2-(3-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide?
N-[4-methyl-1-[[2-(3-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 414.58 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-[[2-(3-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 134805982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).