N-propyl-2-[4-[2-(trifluoromethylsulfonyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide

C16H21F3N4O4S — CID 56502374

IUPACN-propyl-2-[4-[2-(trifluoromethylsulfonyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2cccnc2S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H21F3N4O4S/c1-2-5-20-13(24)11-22-7-9-23(10-8-22)15(25)12-4-3-6-21-14(12)28(26,27)16(17,18)19/h3-4,6H,2,5,7-11H2,1H3,(H,20,24)
InChIKeyRIRSABDDGHHZCD-UHFFFAOYSA-N
MW422.43 g/mol
LogP0.66
Rot. Bonds6

About N-propyl-2-[4-[2-(trifluoromethylsulfonyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide

N-propyl-2-[4-[2-(trifluoromethylsulfonyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide (PubChem CID 56502374) has the molecular formula C16H21F3N4O4S and a molecular weight of 422.43 g/mol. Its IUPAC name is N-propyl-2-[4-[2-(trifluoromethylsulfonyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-propyl-2-[4-[2-(trifluoromethylsulfonyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide
PubChem CID56502374
Molecular FormulaC16H21F3N4O4S
Molecular Weight422.43 g/mol
Exact Mass422.12
IUPAC NameN-propyl-2-[4-[2-(trifluoromethylsulfonyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2cccnc2S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H21F3N4O4S/c1-2-5-20-13(24)11-22-7-9-23(10-8-22)15(25)12-4-3-6-21-14(12)28(26,27)16(17,18)19/h3-4,6H,2,5,7-11H2,1H3,(H,20,24)
InChIKeyRIRSABDDGHHZCD-UHFFFAOYSA-N
XLogP0.66
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 46448693
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 51231932
(4-benzylpiperidin-1-yl)-[2-(trifluoromethylsulfonyl)-3-pyridinyl]methanone
CID 47087921
2-[4-[2-(4-bromobenzoyl)benzoyl]piperazin-1-yl]-N-propylacetamide
CID 36918078
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 34815059
2-[4-[2-[(4-chlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-propylacetamide
CID 134014545
2-[4-(6-methylpyridine-2-carbonyl)-1,4-diazepan-1-yl]-N-propylacetamide
CID 166001796
N-benzyl-2-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 30458417
2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide
CID 55606693
2-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-propylacetamide
CID 133383039
N-butyl-2-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 18163223
N-propyl-2-[4-[4-(pyrazol-1-ylmethyl)benzoyl]piperazin-1-yl]acetamide
CID 134045231

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[4-[2-(trifluoromethylsulfonyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide?
The IUPAC name of N-propyl-2-[4-[2-(trifluoromethylsulfonyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide (CID 56502374) is N-propyl-2-[4-[2-(trifluoromethylsulfonyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-propyl-2-[4-[2-(trifluoromethylsulfonyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-propyl-2-[4-[2-(trifluoromethylsulfonyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide is CCCNC(=O)CN1CCN(C(=O)c2cccnc2S(=O)(=O)C(F)(F)F)CC1.
What is the InChIKey of N-propyl-2-[4-[2-(trifluoromethylsulfonyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide?
The InChIKey is RIRSABDDGHHZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O4S/c1-2-5-20-13(24)11-22-7-9-23(10-8-22)15(25)12-4-3-6-21-14(12)28(26,27)16(17,18)19/h3-4,6H,2,5,7-11H2,1H3,(H,20,24).
What are the key properties of N-propyl-2-[4-[2-(trifluoromethylsulfonyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide?
N-propyl-2-[4-[2-(trifluoromethylsulfonyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide has a molecular weight of 422.43 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[4-[2-(trifluoromethylsulfonyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 56502374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).