N-(1-amino-2-cyclopropylpropan-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide

C18H26FN3O3S — CID 119573293

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCC(CN)(NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)C1CC1
InChIInChI=1S/C18H26FN3O3S/c1-18(12-20,14-6-7-14)21-17(23)13-8-10-22(11-9-13)26(24,25)16-5-3-2-4-15(16)19/h2-5,13-14H,6-12,20H2,1H3,(H,21,23)
InChIKeyFKISTKITVNJWRF-UHFFFAOYSA-N
MW383.49 g/mol
LogP1.47
Rot. Bonds6

About N-(1-amino-2-cyclopropylpropan-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide

N-(1-amino-2-cyclopropylpropan-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 119573293) has the molecular formula C18H26FN3O3S and a molecular weight of 383.49 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID119573293
Molecular FormulaC18H26FN3O3S
Molecular Weight383.49 g/mol
Exact Mass383.17
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCC(CN)(NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)C1CC1
InChIInChI=1S/C18H26FN3O3S/c1-18(12-20,14-6-7-14)21-17(23)13-8-10-22(11-9-13)26(24,25)16-5-3-2-4-15(16)19/h2-5,13-14H,6-12,20H2,1H3,(H,21,23)
InChIKeyFKISTKITVNJWRF-UHFFFAOYSA-N
XLogP1.47
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 40630207
1-(2-fluorophenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119501151
N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzoylpiperidine-4-carboxamide
CID 119574718
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
N-(2-aminophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119422130
1-(2-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 26577975
1-(2-fluorophenyl)sulfonyl-N-nonylpiperidine-4-carboxamide
CID 46549939
[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543854
1-(2-fluorophenyl)sulfonyl-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 26688330
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 24674052
1-(2-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 24504256

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 119573293) is N-(1-amino-2-cyclopropylpropan-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide is CC(CN)(NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is FKISTKITVNJWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O3S/c1-18(12-20,14-6-7-14)21-17(23)13-8-10-22(11-9-13)26(24,25)16-5-3-2-4-15(16)19/h2-5,13-14H,6-12,20H2,1H3,(H,21,23).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 119573293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).