1-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide

C14H25F3N4O3S — CID 120812943

IUPAC1-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCC(N2CCNCC2)C(F)(F)F)CC1
InChIInChI=1S/C14H25F3N4O3S/c1-25(23,24)21-6-2-11(3-7-21)13(22)19-10-12(14(15,16)17)20-8-4-18-5-9-20/h11-12,18H,2-10H2,1H3,(H,19,22)
InChIKeyKUBNBXMHTWAXHX-UHFFFAOYSA-N
MW386.44 g/mol
LogP-0.39
Rot. Bonds5

About 1-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide

1-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide (PubChem CID 120812943) has the molecular formula C14H25F3N4O3S and a molecular weight of 386.44 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide
PubChem CID120812943
Molecular FormulaC14H25F3N4O3S
Molecular Weight386.44 g/mol
Exact Mass386.16
IUPAC Name1-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCC(N2CCNCC2)C(F)(F)F)CC1
InChIInChI=1S/C14H25F3N4O3S/c1-25(23,24)21-6-2-11(3-7-21)13(22)19-10-12(14(15,16)17)20-8-4-18-5-9-20/h11-12,18H,2-10H2,1H3,(H,19,22)
InChIKeyKUBNBXMHTWAXHX-UHFFFAOYSA-N
XLogP-0.39
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 32583942
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-sulfamoylpiperidine-4-carboxamide
CID 53501700
N-methyl-1-(1-methylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxamide
CID 71897278
N-[(3R,4R)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide
CID 162401877
1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
CID 43046836
(1-Methylsulfonylpiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 45505232
[1-(2,2-difluoroethyl)piperidin-4-yl]-[(2S)-2-methylpiperazin-1-yl]methanone
CID 156179893
[1-(2,2-difluoroethyl)piperidin-4-yl]-[(2R)-2-methylpiperazin-1-yl]methanone
CID 163364890
1-methylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
CID 24658659
1-methylsulfonyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
CID 30603350
1-methylsulfonyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
CID 30603353
1-methylsulfonyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
CID 30603356

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide (CID 120812943) is 1-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCC(N2CCNCC2)C(F)(F)F)CC1.
What is the InChIKey of 1-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide?
The InChIKey is KUBNBXMHTWAXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N4O3S/c1-25(23,24)21-6-2-11(3-7-21)13(22)19-10-12(14(15,16)17)20-8-4-18-5-9-20/h11-12,18H,2-10H2,1H3,(H,19,22).
What are the key properties of 1-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide?
1-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide has a molecular weight of 386.44 g/mol, XLogP of -0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 120812943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).