(4-benzylpiperazin-1-yl)-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone

C18H27N3O3S — CID 7376452

IUPAC(4-benzylpiperazin-1-yl)-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone
SMILESCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C18H27N3O3S/c1-25(23,24)21-9-5-8-17(15-21)18(22)20-12-10-19(11-13-20)14-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-15H2,1H3/t17-/m1/s1
InChIKeyKSYUYHVGINWRGN-QGZVFWFLSA-N
MW365.50 g/mol
LogP1.00
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone

(4-benzylpiperazin-1-yl)-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone (PubChem CID 7376452) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone
PubChem CID7376452
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name(4-benzylpiperazin-1-yl)-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone
SMILESCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C18H27N3O3S/c1-25(23,24)21-9-5-8-17(15-21)18(22)20-12-10-19(11-13-20)14-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-15H2,1H3/t17-/m1/s1
InChIKeyKSYUYHVGINWRGN-QGZVFWFLSA-N
XLogP1.00
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone
CID 28559695
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone
CID 28559694
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone
CID 28559689
(4-benzylpiperazin-1-yl)-[(3S)-1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone
CID 28633070
[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone
CID 28559692
N-(1-benzylpiperidin-4-yl)-1-methylsulfonylpiperidine-3-carboxamide
CID 55556316
5-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione
CID 42655923
(4-benzylpiperazin-1-yl)-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]methanone
CID 5307287
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
azepan-1-yl-(1-methylsulfonylpiperidin-3-yl)methanone
CID 45153724
(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

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone (CID 7376452) is (4-benzylpiperazin-1-yl)-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone is CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone?
The InChIKey is KSYUYHVGINWRGN-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-25(23,24)21-9-5-8-17(15-21)18(22)20-12-10-19(11-13-20)14-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-15H2,1H3/t17-/m1/s1.
What are the key properties of (4-benzylpiperazin-1-yl)-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone?
(4-benzylpiperazin-1-yl)-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone has a molecular weight of 365.50 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone is sourced from PubChem (CID 7376452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).