1-(benzenesulfonyl)-4-(hydroxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide

C22H25F3N2O5S — CID 70657784

IUPAC1-(benzenesulfonyl)-4-(hydroxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide
SMILESCC(Oc1ccc(NC(=O)C2(CO)CCN(S(=O)(=O)c3ccccc3)CC2)cc1)C(F)(F)F
InChIInChI=1S/C22H25F3N2O5S/c1-16(22(23,24)25)32-18-9-7-17(8-10-18)26-20(29)21(15-28)11-13-27(14-12-21)33(30,31)19-5-3-2-4-6-19/h2-10,16,28H,11-15H2,1H3,(H,26,29)
InChIKeyNDPYFJCKUIIVQE-UHFFFAOYSA-N
MW486.51 g/mol
LogP3.42
Rot. Bonds7

About 1-(benzenesulfonyl)-4-(hydroxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide

1-(benzenesulfonyl)-4-(hydroxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide (PubChem CID 70657784) has the molecular formula C22H25F3N2O5S and a molecular weight of 486.51 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(hydroxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(hydroxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide
PubChem CID70657784
Molecular FormulaC22H25F3N2O5S
Molecular Weight486.51 g/mol
Exact Mass486.14
IUPAC Name1-(benzenesulfonyl)-4-(hydroxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide
SMILESCC(Oc1ccc(NC(=O)C2(CO)CCN(S(=O)(=O)c3ccccc3)CC2)cc1)C(F)(F)F
InChIInChI=1S/C22H25F3N2O5S/c1-16(22(23,24)25)32-18-9-7-17(8-10-18)26-20(29)21(15-28)11-13-27(14-12-21)33(30,31)19-5-3-2-4-6-19/h2-10,16,28H,11-15H2,1H3,(H,26,29)
InChIKeyNDPYFJCKUIIVQE-UHFFFAOYSA-N
XLogP3.42
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.51
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(benzenesulfonyl)-4-(hydroxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide with MolForge

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Related Compounds

4-methyl-1-(4-methylphenyl)sulfonyl-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide
CID 51001411
4-methyl-1-(4-methylphenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 51001229
2-phenoxy-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 2948246
(2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propanamide
CID 9493902
1-(2-chlorophenyl)sulfonyl-4-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 51001653
4-amino-N-(4-propan-2-ylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 66921149
N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-2-(4-methylphenoxy)butanamide
CID 4950124
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 1094963
ethyl 1-(4-acetamidophenyl)sulfonyl-4-benzylpiperidine-4-carboxylate
CID 26401018
(2R)-2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide
CID 26075409
1-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409
4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid
CID 22240811

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-(hydroxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-4-(hydroxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide (CID 70657784) is 1-(benzenesulfonyl)-4-(hydroxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(hydroxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-4-(hydroxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide is CC(Oc1ccc(NC(=O)C2(CO)CCN(S(=O)(=O)c3ccccc3)CC2)cc1)C(F)(F)F.
What is the InChIKey of 1-(benzenesulfonyl)-4-(hydroxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide?
The InChIKey is NDPYFJCKUIIVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O5S/c1-16(22(23,24)25)32-18-9-7-17(8-10-18)26-20(29)21(15-28)11-13-27(14-12-21)33(30,31)19-5-3-2-4-6-19/h2-10,16,28H,11-15H2,1H3,(H,26,29).
What are the key properties of 1-(benzenesulfonyl)-4-(hydroxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-4-(hydroxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide has a molecular weight of 486.51 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-(hydroxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 70657784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).