cyclopropyl-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]methanone

C17H29N3O4S — CID 55682841

IUPACcyclopropyl-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]methanone
SMILESCCCS(=O)(=O)N1CCCC(C(=O)N2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C17H29N3O4S/c1-2-12-25(23,24)20-7-3-4-15(13-20)17(22)19-10-8-18(9-11-19)16(21)14-5-6-14/h14-15H,2-13H2,1H3
InChIKeyRQMMWKJHHQPLMH-UHFFFAOYSA-N
MW371.50 g/mol
LogP0.52
Rot. Bonds5

About cyclopropyl-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]methanone

cyclopropyl-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 55682841) has the molecular formula C17H29N3O4S and a molecular weight of 371.50 g/mol. Its IUPAC name is cyclopropyl-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]methanone
PubChem CID55682841
Molecular FormulaC17H29N3O4S
Molecular Weight371.50 g/mol
Exact Mass371.19
IUPAC Namecyclopropyl-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]methanone
SMILESCCCS(=O)(=O)N1CCCC(C(=O)N2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C17H29N3O4S/c1-2-12-25(23,24)20-7-3-4-15(13-20)17(22)19-10-8-18(9-11-19)16(21)14-5-6-14/h14-15H,2-13H2,1H3
InChIKeyRQMMWKJHHQPLMH-UHFFFAOYSA-N
XLogP0.52
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

morpholin-4-yl-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone
CID 55683506
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone
CID 55685244
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone
CID 46489746
N,N-diethyl-4-(1-ethylsulfonylpiperidine-3-carbonyl)piperazine-1-carboxamide
CID 136578480
1-[4-(1-propylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone
CID 113003864
N-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]benzamide
CID 42959145
N-(3-methoxypropyl)-2-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide
CID 55682910
[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone
CID 86905561
(4-ethylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone
CID 113003728
(1-ethylsulfonylpiperidin-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490378
morpholin-4-yl-[(3R)-1-(1-propylsulfonylpiperidin-4-yl)piperidin-3-yl]methanone
CID 96573725
(1-propylsulfonylpiperidin-3-yl)-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 55683596

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]methanone (CID 55682841) is cyclopropyl-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]methanone is CCCS(=O)(=O)N1CCCC(C(=O)N2CCN(C(=O)C3CC3)CC2)C1.
What is the InChIKey of cyclopropyl-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is RQMMWKJHHQPLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4S/c1-2-12-25(23,24)20-7-3-4-15(13-20)17(22)19-10-8-18(9-11-19)16(21)14-5-6-14/h14-15H,2-13H2,1H3.
What are the key properties of cyclopropyl-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]methanone?
cyclopropyl-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 371.50 g/mol, XLogP of 0.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55682841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).