azetidin-1-yl-(1-ethylsulfonyl-4-imidazol-1-ylpiperidin-4-yl)methanone;formic acid

C15H24N4O5S — CID 155873466

IUPACazetidin-1-yl-(1-ethylsulfonyl-4-imidazol-1-ylpiperidin-4-yl)methanone;formic acid
SMILESCCS(=O)(=O)N1CCC(C(=O)N2CCC2)(n2ccnc2)CC1.O=CO
InChIInChI=1S/C14H22N4O3S.CH2O2/c1-2-22(20,21)18-9-4-14(5-10-18,17-11-6-15-12-17)13(19)16-7-3-8-16;2-1-3/h6,11-12H,2-5,7-10H2,1H3;1H,(H,2,3)
InChIKeySNAZSBKOHDZGEA-UHFFFAOYSA-N
MW372.45 g/mol
LogP-0.04
Rot. Bonds4

About azetidin-1-yl-(1-ethylsulfonyl-4-imidazol-1-ylpiperidin-4-yl)methanone;formic acid

azetidin-1-yl-(1-ethylsulfonyl-4-imidazol-1-ylpiperidin-4-yl)methanone;formic acid (PubChem CID 155873466) has the molecular formula C15H24N4O5S and a molecular weight of 372.45 g/mol. Its IUPAC name is azetidin-1-yl-(1-ethylsulfonyl-4-imidazol-1-ylpiperidin-4-yl)methanone;formic acid.

Molecular Properties

Compound Nameazetidin-1-yl-(1-ethylsulfonyl-4-imidazol-1-ylpiperidin-4-yl)methanone;formic acid
PubChem CID155873466
Molecular FormulaC15H24N4O5S
Molecular Weight372.45 g/mol
Exact Mass372.15
IUPAC Nameazetidin-1-yl-(1-ethylsulfonyl-4-imidazol-1-ylpiperidin-4-yl)methanone;formic acid
SMILESCCS(=O)(=O)N1CCC(C(=O)N2CCC2)(n2ccnc2)CC1.O=CO
InChIInChI=1S/C14H22N4O3S.CH2O2/c1-2-22(20,21)18-9-4-14(5-10-18,17-11-6-15-12-17)13(19)16-7-3-8-16;2-1-3/h6,11-12H,2-5,7-10H2,1H3;1H,(H,2,3)
InChIKeySNAZSBKOHDZGEA-UHFFFAOYSA-N
XLogP-0.04
TPSA112.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

azetidin-1-yl-(4-imidazol-1-yl-1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone;formic acid
CID 155873678
azetidin-1-yl-(1-ethylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 155873377
4-imidazol-1-yl-N,N-dimethyl-1-propylsulfonylpiperidine-4-carboxamide
CID 155876535
azetidin-1-yl-(1-methylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 155879258
1-imidazol-1-ylcyclooctane-1-carboxylic acid
CID 82235123
[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-(4-imidazol-1-yl-1,1-dioxothian-4-yl)methanone
CID 85103336
1-(4-fluorophenyl)sulfonyl-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide
CID 155874322
azetidin-1-yl-[1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-pyrazol-1-ylpiperidin-4-yl]methanone;formic acid
CID 155879868
3-imidazol-1-yl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 155874031
1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide;formic acid
CID 171695756
1-(2-ethylbutyl)-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide
CID 155872498
formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 155875558

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(1-ethylsulfonyl-4-imidazol-1-ylpiperidin-4-yl)methanone;formic acid?
The IUPAC name of azetidin-1-yl-(1-ethylsulfonyl-4-imidazol-1-ylpiperidin-4-yl)methanone;formic acid (CID 155873466) is azetidin-1-yl-(1-ethylsulfonyl-4-imidazol-1-ylpiperidin-4-yl)methanone;formic acid.
What is the SMILES notation for azetidin-1-yl-(1-ethylsulfonyl-4-imidazol-1-ylpiperidin-4-yl)methanone;formic acid?
The canonical SMILES for azetidin-1-yl-(1-ethylsulfonyl-4-imidazol-1-ylpiperidin-4-yl)methanone;formic acid is CCS(=O)(=O)N1CCC(C(=O)N2CCC2)(n2ccnc2)CC1.O=CO.
What is the InChIKey of azetidin-1-yl-(1-ethylsulfonyl-4-imidazol-1-ylpiperidin-4-yl)methanone;formic acid?
The InChIKey is SNAZSBKOHDZGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S.CH2O2/c1-2-22(20,21)18-9-4-14(5-10-18,17-11-6-15-12-17)13(19)16-7-3-8-16;2-1-3/h6,11-12H,2-5,7-10H2,1H3;1H,(H,2,3).
What are the key properties of azetidin-1-yl-(1-ethylsulfonyl-4-imidazol-1-ylpiperidin-4-yl)methanone;formic acid?
azetidin-1-yl-(1-ethylsulfonyl-4-imidazol-1-ylpiperidin-4-yl)methanone;formic acid has a molecular weight of 372.45 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(1-ethylsulfonyl-4-imidazol-1-ylpiperidin-4-yl)methanone;formic acid is sourced from PubChem (CID 155873466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).