N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide

C20H25N3O3S — CID 110215615

IUPACN-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
SMILESCOc1ccc(CC(=O)N2CCCC(C(NC(C)=O)c3nccs3)C2)cc1
InChIInChI=1S/C20H25N3O3S/c1-14(24)22-19(20-21-9-11-27-20)16-4-3-10-23(13-16)18(25)12-15-5-7-17(26-2)8-6-15/h5-9,11,16,19H,3-4,10,12-13H2,1-2H3,(H,22,24)
InChIKeyDLRGSQODESOYHU-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.81
Rot. Bonds6

About N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide

N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 110215615) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
PubChem CID110215615
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
SMILESCOc1ccc(CC(=O)N2CCCC(C(NC(C)=O)c3nccs3)C2)cc1
InChIInChI=1S/C20H25N3O3S/c1-14(24)22-19(20-21-9-11-27-20)16-4-3-10-23(13-16)18(25)12-15-5-7-17(26-2)8-6-15/h5-9,11,16,19H,3-4,10,12-13H2,1-2H3,(H,22,24)
InChIKeyDLRGSQODESOYHU-UHFFFAOYSA-N
XLogP2.81
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 110215583
N-[(S)-[(3S)-1-[2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 92550202
N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 110215566
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone;hydrochloride
CID 119593429
N-[(S)-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 92550244
N-[(R)-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 92550184
N-[(S)-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 92550210
N-[[1-(quinolin-8-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 110215571
1-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 3298248
2-(4-methoxyphenyl)-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]ethanone
CID 124965599
2-(4-methoxyphenyl)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 96573896
2-(4-methoxyphenyl)-N-[[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]methyl]acetamide
CID 86903151

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide (CID 110215615) is N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide is COc1ccc(CC(=O)N2CCCC(C(NC(C)=O)c3nccs3)C2)cc1.
What is the InChIKey of N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is DLRGSQODESOYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-14(24)22-19(20-21-9-11-27-20)16-4-3-10-23(13-16)18(25)12-15-5-7-17(26-2)8-6-15/h5-9,11,16,19H,3-4,10,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 387.51 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 110215615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).