(4-benzylpiperazin-1-yl)-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]methanone

C20H27N5O3S — CID 5307287

IUPAC(4-benzylpiperazin-1-yl)-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(S(=O)(=O)c2cnc[nH]2)C1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H27N5O3S/c26-20(24-11-9-23(10-12-24)14-17-5-2-1-3-6-17)18-7-4-8-25(15-18)29(27,28)19-13-21-16-22-19/h1-3,5-6,13,16,18H,4,7-12,14-15H2,(H,21,22)
InChIKeyDGTDYMYPXGFQEC-UHFFFAOYSA-N
MW417.54 g/mol
LogP1.15
Rot. Bonds5

About (4-benzylpiperazin-1-yl)-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]methanone

(4-benzylpiperazin-1-yl)-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]methanone (PubChem CID 5307287) has the molecular formula C20H27N5O3S and a molecular weight of 417.54 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]methanone
PubChem CID5307287
Molecular FormulaC20H27N5O3S
Molecular Weight417.54 g/mol
Exact Mass417.18
IUPAC Name(4-benzylpiperazin-1-yl)-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(S(=O)(=O)c2cnc[nH]2)C1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H27N5O3S/c26-20(24-11-9-23(10-12-24)14-17-5-2-1-3-6-17)18-7-4-8-25(15-18)29(27,28)19-13-21-16-22-19/h1-3,5-6,13,16,18H,4,7-12,14-15H2,(H,21,22)
InChIKeyDGTDYMYPXGFQEC-UHFFFAOYSA-N
XLogP1.15
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-benzylpiperazin-1-yl)-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]methanone with MolForge

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Related Compounds

(4-benzylpiperazin-1-yl)-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone
CID 7376452
5-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione
CID 42655923
(4-benzylpiperazin-1-yl)-[(3S)-1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone
CID 28633070
1-(1H-imidazol-5-ylsulfonyl)-N-(2-methylphenyl)piperidine-3-carboxamide
CID 5308672
(3S)-1-(1H-imidazol-5-ylsulfonyl)pyrrolidine-3-carboxylic acid
CID 129369823
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone
CID 28559694
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone
CID 28559695
(4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone
CID 93491661
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
(4-benzylpiperazin-1-yl)-(thian-3-yl)methanone
CID 110853087

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]methanone (CID 5307287) is (4-benzylpiperazin-1-yl)-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]methanone is O=C(C1CCCN(S(=O)(=O)c2cnc[nH]2)C1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]methanone?
The InChIKey is DGTDYMYPXGFQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3S/c26-20(24-11-9-23(10-12-24)14-17-5-2-1-3-6-17)18-7-4-8-25(15-18)29(27,28)19-13-21-16-22-19/h1-3,5-6,13,16,18H,4,7-12,14-15H2,(H,21,22).
What are the key properties of (4-benzylpiperazin-1-yl)-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]methanone?
(4-benzylpiperazin-1-yl)-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]methanone has a molecular weight of 417.54 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 5307287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).