(4-phenylpiperazin-1-yl)-(1-propylsulfonylpiperidin-3-yl)methanone

C19H29N3O3S — CID 3242187

IUPAC(4-phenylpiperazin-1-yl)-(1-propylsulfonylpiperidin-3-yl)methanone
SMILESCCCS(=O)(=O)N1CCCC(C(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C19H29N3O3S/c1-2-15-26(24,25)22-10-6-7-17(16-22)19(23)21-13-11-20(12-14-21)18-8-4-3-5-9-18/h3-5,8-9,17H,2,6-7,10-16H2,1H3
InChIKeyTWWNVVTVGSVCMC-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.79
Rot. Bonds5

About (4-phenylpiperazin-1-yl)-(1-propylsulfonylpiperidin-3-yl)methanone

(4-phenylpiperazin-1-yl)-(1-propylsulfonylpiperidin-3-yl)methanone (PubChem CID 3242187) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-(1-propylsulfonylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-(1-propylsulfonylpiperidin-3-yl)methanone
PubChem CID3242187
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name(4-phenylpiperazin-1-yl)-(1-propylsulfonylpiperidin-3-yl)methanone
SMILESCCCS(=O)(=O)N1CCCC(C(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C19H29N3O3S/c1-2-15-26(24,25)22-10-6-7-17(16-22)19(23)21-13-11-20(12-14-21)18-8-4-3-5-9-18/h3-5,8-9,17H,2,6-7,10-16H2,1H3
InChIKeyTWWNVVTVGSVCMC-UHFFFAOYSA-N
XLogP1.79
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 86346645
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CID 2990495
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CID 2991521
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CID 16327022
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CID 10457710
CID 10457710
CID 11524646
CID 11524646
CID 86690653
CID 86690653
CID 89659369
CID 89659369
CID 89659412
CID 89659412
CID 89659415
CID 89659415
CID 89701127
CID 89701127
CID 948802
CID 948802

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-(1-propylsulfonylpiperidin-3-yl)methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-(1-propylsulfonylpiperidin-3-yl)methanone (CID 3242187) is (4-phenylpiperazin-1-yl)-(1-propylsulfonylpiperidin-3-yl)methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-(1-propylsulfonylpiperidin-3-yl)methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-(1-propylsulfonylpiperidin-3-yl)methanone is CCCS(=O)(=O)N1CCCC(C(=O)N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-(1-propylsulfonylpiperidin-3-yl)methanone?
The InChIKey is TWWNVVTVGSVCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-2-15-26(24,25)22-10-6-7-17(16-22)19(23)21-13-11-20(12-14-21)18-8-4-3-5-9-18/h3-5,8-9,17H,2,6-7,10-16H2,1H3.
What are the key properties of (4-phenylpiperazin-1-yl)-(1-propylsulfonylpiperidin-3-yl)methanone?
(4-phenylpiperazin-1-yl)-(1-propylsulfonylpiperidin-3-yl)methanone has a molecular weight of 379.53 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-(1-propylsulfonylpiperidin-3-yl)methanone is sourced from PubChem (CID 3242187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).