[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-(4-phenylpiperazin-1-yl)methanone

C23H29N3O3S — CID 8713585

IUPAC[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O3S/c1-19-7-5-6-14-26(19)30(28,29)22-12-10-20(11-13-22)23(27)25-17-15-24(16-18-25)21-8-3-2-4-9-21/h2-4,8-13,19H,5-7,14-18H2,1H3/t19-/m1/s1
InChIKeyQLBWWQIEGUYAOB-LJQANCHMSA-N
MW427.57 g/mol
LogP3.21
Rot. Bonds4

About [4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-(4-phenylpiperazin-1-yl)methanone

[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 8713585) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is [4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID8713585
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Name[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O3S/c1-19-7-5-6-14-26(19)30(28,29)22-12-10-20(11-13-22)23(27)25-17-15-24(16-18-25)21-8-3-2-4-9-21/h2-4,8-13,19H,5-7,14-18H2,1H3/t19-/m1/s1
InChIKeyQLBWWQIEGUYAOB-LJQANCHMSA-N
XLogP3.21
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-(4-phenylpiperazin-1-yl)methanone with MolForge

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Related Compounds

1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
CID 3192476
(3S)-1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-3-carboxylic acid
CID 119113675
(4-aminopiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone;hydrochloride
CID 119376603
N-benzyl-1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carboxamide
CID 46613222
(2-methylpiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 631597
1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]-N-phenylpiperidine-3-carboxamide
CID 46662394
[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 43981812
N-[1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]propane-1-sulfonamide
CID 55655242
N-methyl-4-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 51161111
[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 16874784
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 23853309
[4-(3-methylpiperidine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 109048199

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-(4-phenylpiperazin-1-yl)methanone (CID 8713585) is [4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-(4-phenylpiperazin-1-yl)methanone is C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of [4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is QLBWWQIEGUYAOB-LJQANCHMSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-19-7-5-6-14-26(19)30(28,29)22-12-10-20(11-13-22)23(27)25-17-15-24(16-18-25)21-8-3-2-4-9-21/h2-4,8-13,19H,5-7,14-18H2,1H3/t19-/m1/s1.
What are the key properties of [4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-(4-phenylpiperazin-1-yl)methanone?
[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 427.57 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 8713585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).