[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone

C14H23N5O3S — CID 3241121

IUPAC[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)CC1
InChIInChI=1S/C14H23N5O3S/c1-17-6-8-18(9-7-17)14(20)12-2-4-19(5-3-12)23(21,22)13-10-15-11-16-13/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyXSAWVFYGILEKGR-UHFFFAOYSA-N
MW341.44 g/mol
LogP-0.42
Rot. Bonds3

About [1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone

[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 3241121) has the molecular formula C14H23N5O3S and a molecular weight of 341.44 g/mol. Its IUPAC name is [1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID3241121
Molecular FormulaC14H23N5O3S
Molecular Weight341.44 g/mol
Exact Mass341.15
IUPAC Name[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)CC1
InChIInChI=1S/C14H23N5O3S/c1-17-6-8-18(9-7-17)14(20)12-2-4-19(5-3-12)23(21,22)13-10-15-11-16-13/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyXSAWVFYGILEKGR-UHFFFAOYSA-N
XLogP-0.42
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 3241121) is [1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)CC1.
What is the InChIKey of [1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is XSAWVFYGILEKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3S/c1-17-6-8-18(9-7-17)14(20)12-2-4-19(5-3-12)23(21,22)13-10-15-11-16-13/h10-12H,2-9H2,1H3,(H,15,16).
What are the key properties of [1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 341.44 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 3241121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).