(4-methyl-3-phenylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone

C18H27N3O3S — CID 110418535

IUPAC(4-methyl-3-phenylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCN1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1c1ccccc1
InChIInChI=1S/C18H27N3O3S/c1-19-12-13-20(14-17(19)15-6-4-3-5-7-15)18(22)16-8-10-21(11-9-16)25(2,23)24/h3-7,16-17H,8-14H2,1-2H3
InChIKeyFGAFGUKFXZOJNS-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.17
Rot. Bonds3

About (4-methyl-3-phenylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone

(4-methyl-3-phenylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone (PubChem CID 110418535) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is (4-methyl-3-phenylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(4-methyl-3-phenylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
PubChem CID110418535
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name(4-methyl-3-phenylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCN1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1c1ccccc1
InChIInChI=1S/C18H27N3O3S/c1-19-12-13-20(14-17(19)15-6-4-3-5-7-15)18(22)16-8-10-21(11-9-16)25(2,23)24/h3-7,16-17H,8-14H2,1-2H3
InChIKeyFGAFGUKFXZOJNS-UHFFFAOYSA-N
XLogP1.17
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(4-methyl-3-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110610516
1-methyl-4-methylsulfonyl-2-phenylpiperazine
CID 112511935
(2S)-1-methyl-4-(1-methylsulfonylpiperidin-4-yl)-2-phenylpiperazine
CID 124988403
(2R)-1-methyl-4-(1-methylsulfonylpiperidin-4-yl)-2-phenylpiperazine
CID 124988402
[4-(benzenesulfonyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 26020158
(1-methylsulfonylpiperidin-4-yl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone
CID 110740447
[3-methyl-4-(2-phenylethyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110658199
[(2S,6R)-2-methyl-6-phenylpiperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 96535829
1-[(2S)-4-(1-methylpiperidine-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone
CID 124972769
4-(4-methyl-3-phenylpiperazine-1-carbonyl)-1-phenylpyrrolidin-2-one
CID 110610513
methyl 4-methyl-3-phenylpiperazine-1-carboxylate
CID 110602881
(2-chlorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110602874

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-phenylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of (4-methyl-3-phenylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone (CID 110418535) is (4-methyl-3-phenylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for (4-methyl-3-phenylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for (4-methyl-3-phenylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone is CN1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1c1ccccc1.
What is the InChIKey of (4-methyl-3-phenylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone?
The InChIKey is FGAFGUKFXZOJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-19-12-13-20(14-17(19)15-6-4-3-5-7-15)18(22)16-8-10-21(11-9-16)25(2,23)24/h3-7,16-17H,8-14H2,1-2H3.
What are the key properties of (4-methyl-3-phenylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone?
(4-methyl-3-phenylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone has a molecular weight of 365.50 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-phenylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 110418535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).