N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide

C19H27FN4O4S — CID 24674052

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESNC(=O)CN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1
InChIInChI=1S/C19H27FN4O4S/c20-16-3-1-2-4-17(16)29(27,28)24-11-5-14(6-12-24)19(26)22-15-7-9-23(10-8-15)13-18(21)25/h1-4,14-15H,5-13H2,(H2,21,25)(H,22,26)
InChIKeyOJYGUXRQWZZAHH-UHFFFAOYSA-N
MW426.51 g/mol
LogP0.29
Rot. Bonds6

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 24674052) has the molecular formula C19H27FN4O4S and a molecular weight of 426.51 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID24674052
Molecular FormulaC19H27FN4O4S
Molecular Weight426.51 g/mol
Exact Mass426.17
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESNC(=O)CN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1
InChIInChI=1S/C19H27FN4O4S/c20-16-3-1-2-4-17(16)29(27,28)24-11-5-14(6-12-24)19(26)22-15-7-9-23(10-8-15)13-18(21)25/h1-4,14-15H,5-13H2,(H2,21,25)(H,22,26)
InChIKeyOJYGUXRQWZZAHH-UHFFFAOYSA-N
XLogP0.29
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide
CID 119450805
1-(2-fluorophenyl)sulfonyl-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 55945570
N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 40630207
1-(2,5-difluorophenyl)sulfonyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 55960697
N-(2-aminophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119422130
1-(2-fluorophenyl)sulfonyl-N-(4-iodophenyl)piperidine-4-carboxamide
CID 24640994
1-(2-fluorophenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119501151
N-(cyclopentylcarbamoyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8749172
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 119573293
1-(2-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 24640967
3-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 119237158
1-(2-fluorophenyl)sulfonyl-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 26688330

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 24674052) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide is NC(=O)CN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is OJYGUXRQWZZAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O4S/c20-16-3-1-2-4-17(16)29(27,28)24-11-5-14(6-12-24)19(26)22-15-7-9-23(10-8-15)13-18(21)25/h1-4,14-15H,5-13H2,(H2,21,25)(H,22,26).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 426.51 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 24674052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).