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

C14H22N4O2S — CID 110258692

IUPACN-[4-[1-[2-(dimethylamino)acetyl]piperidin-3-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C2CCCN(C(=O)CN(C)C)C2)cs1
InChIInChI=1S/C14H22N4O2S/c1-10(19)15-14-16-12(9-21-14)11-5-4-6-18(7-11)13(20)8-17(2)3/h9,11H,4-8H2,1-3H3,(H,15,16,19)
InChIKeyZIIPDOLSMXHDFW-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.37
Rot. Bonds4

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

N-[4-[1-[2-(dimethylamino)acetyl]piperidin-3-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 110258692) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[4-[1-[2-(dimethylamino)acetyl]piperidin-3-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[1-[2-(dimethylamino)acetyl]piperidin-3-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID110258692
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC NameN-[4-[1-[2-(dimethylamino)acetyl]piperidin-3-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C2CCCN(C(=O)CN(C)C)C2)cs1
InChIInChI=1S/C14H22N4O2S/c1-10(19)15-14-16-12(9-21-14)11-5-4-6-18(7-11)13(20)8-17(2)3/h9,11H,4-8H2,1-3H3,(H,15,16,19)
InChIKeyZIIPDOLSMXHDFW-UHFFFAOYSA-N
XLogP1.37
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]-1,3-thiazol-2-yl]acetamide
CID 95828395
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide
CID 47200519
2-(dimethylamino)-1-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 95867348
N-[4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-2-yl]acetamide
CID 95829191
2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 131045839
1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 61480503
1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-(dimethylamino)ethanone
CID 95817631
2-(dimethylamino)-1-[3-[6-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110094063
2-(dimethylamino)-1-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 124946413
methyl 3-(2-amino-1,3-thiazol-4-yl)piperidine-1-carboxylate
CID 156820250
2-(dimethylamino)-1-[(3R)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810457
N-(4-cyclohexyl-1,3-thiazol-2-yl)propanamide
CID 5141035

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[2-(dimethylamino)acetyl]piperidin-3-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[1-[2-(dimethylamino)acetyl]piperidin-3-yl]-1,3-thiazol-2-yl]acetamide (CID 110258692) is N-[4-[1-[2-(dimethylamino)acetyl]piperidin-3-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[1-[2-(dimethylamino)acetyl]piperidin-3-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[1-[2-(dimethylamino)acetyl]piperidin-3-yl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C2CCCN(C(=O)CN(C)C)C2)cs1.
What is the InChIKey of N-[4-[1-[2-(dimethylamino)acetyl]piperidin-3-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZIIPDOLSMXHDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-10(19)15-14-16-12(9-21-14)11-5-4-6-18(7-11)13(20)8-17(2)3/h9,11H,4-8H2,1-3H3,(H,15,16,19).
What are the key properties of N-[4-[1-[2-(dimethylamino)acetyl]piperidin-3-yl]-1,3-thiazol-2-yl]acetamide?
N-[4-[1-[2-(dimethylamino)acetyl]piperidin-3-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 310.42 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[2-(dimethylamino)acetyl]piperidin-3-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 110258692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).