N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide

C16H28N4OS — CID 72925285

IUPACN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCSc1ncc(CNC(=O)CC2CCN(C(C)C)CC2)n1C
InChIInChI=1S/C16H28N4OS/c1-12(2)20-7-5-13(6-8-20)9-15(21)17-10-14-11-18-16(22-4)19(14)3/h11-13H,5-10H2,1-4H3,(H,17,21)
InChIKeyRREQKMRCOPFZMQ-UHFFFAOYSA-N
MW324.49 g/mol
LogP2.27
Rot. Bonds6

About N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide

N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide (PubChem CID 72925285) has the molecular formula C16H28N4OS and a molecular weight of 324.49 g/mol. Its IUPAC name is N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
PubChem CID72925285
Molecular FormulaC16H28N4OS
Molecular Weight324.49 g/mol
Exact Mass324.20
IUPAC NameN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCSc1ncc(CNC(=O)CC2CCN(C(C)C)CC2)n1C
InChIInChI=1S/C16H28N4OS/c1-12(2)20-7-5-13(6-8-20)9-15(21)17-10-14-11-18-16(22-4)19(14)3/h11-13H,5-10H2,1-4H3,(H,17,21)
InChIKeyRREQKMRCOPFZMQ-UHFFFAOYSA-N
XLogP2.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclobutylcarbonyl)-N-{[1-methyl-2-(methylthio)-1H-imidazol-5-yl]methyl}-4-piperidinecarboxamide
CID 72846373
1-{[1-(cyclohexylmethyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-3-piperidinecarboxamide
CID 45199276
N-[1-(5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-ylcarbonyl)-2-methylpropyl]acetamide
CID 56905957
2-cyclopropyl-N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide
CID 97382111
2-[[(2-cyclopropylacetyl)amino]methyl]-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 97382117
N-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
CID 118743379
2-(1-Acetylpiperidin-4-YL)-N-[2-(5-methyl-1-propyl-1H-imidazol-2-YL)ethyl]acetamide
CID 91911723
2-(1-acetyl-4-piperidyl)-N-[2-(1-isopropyl-5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 91911725
1-acetyl-N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 91923847
rel-(1S,3R)-3-amino-N-{[1-methyl-2-(methylthio)-1H-imidazol-5-yl]methyl}cyclopentanecarboxamide dihydrochloride
CID 56898768
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]cyclobutanecarboxamide
CID 60311760
N-{rel-(3R,4S)-1-[(1,2-dimethyl-1H-imidazol-5-yl)methyl]-4-propyl-3-pyrrolidinyl}cyclobutanecarboxamide dihydrochloride
CID 72862382

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide (CID 72925285) is N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide is CSc1ncc(CNC(=O)CC2CCN(C(C)C)CC2)n1C.
What is the InChIKey of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The InChIKey is RREQKMRCOPFZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4OS/c1-12(2)20-7-5-13(6-8-20)9-15(21)17-10-14-11-18-16(22-4)19(14)3/h11-13H,5-10H2,1-4H3,(H,17,21).
What are the key properties of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide has a molecular weight of 324.49 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 72925285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).