N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide

C14H24F3N3O3S — CID 119785684

IUPACN-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)CC2CCCN2)CC1
InChIInChI=1S/C14H24F3N3O3S/c1-24(22,23)20(10-14(15,16)17)12-4-7-19(8-5-12)13(21)9-11-3-2-6-18-11/h11-12,18H,2-10H2,1H3
InChIKeyNKDLWKVWVOHSGZ-UHFFFAOYSA-N
MW371.43 g/mol
LogP0.94
Rot. Bonds5

About N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide

N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide (PubChem CID 119785684) has the molecular formula C14H24F3N3O3S and a molecular weight of 371.43 g/mol. Its IUPAC name is N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
PubChem CID119785684
Molecular FormulaC14H24F3N3O3S
Molecular Weight371.43 g/mol
Exact Mass371.15
IUPAC NameN-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)CC2CCCN2)CC1
InChIInChI=1S/C14H24F3N3O3S/c1-24(22,23)20(10-14(15,16)17)12-4-7-19(8-5-12)13(21)9-11-3-2-6-18-11/h11-12,18H,2-10H2,1H3
InChIKeyNKDLWKVWVOHSGZ-UHFFFAOYSA-N
XLogP0.94
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrrolidin-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 61364492
1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 62205259
1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride
CID 119324803
N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propane-1-sulfonamide
CID 119732751
2,2-dimethyl-1-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119708849
4-(2-pyrrolidin-2-ylacetyl)piperazine-1-sulfonamide;hydrochloride
CID 119701502
2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone
CID 29083930
N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propane-1-sulfonamide;hydrochloride
CID 119732750
2-pyrrolidin-2-yl-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone
CID 119752121
1-(4-ethoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 61364485
4-fluoro-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]benzenesulfonamide
CID 119732715

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The IUPAC name of N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide (CID 119785684) is N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide.
What is the SMILES notation for N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The canonical SMILES for N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide is CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)CC2CCCN2)CC1.
What is the InChIKey of N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The InChIKey is NKDLWKVWVOHSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O3S/c1-24(22,23)20(10-14(15,16)17)12-4-7-19(8-5-12)13(21)9-11-3-2-6-18-11/h11-12,18H,2-10H2,1H3.
What are the key properties of N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide?
N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide has a molecular weight of 371.43 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide is sourced from PubChem (CID 119785684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).