N-[5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-fluorophenyl]acetamide;hydrochloride

C17H25ClFN3O3S — CID 119987931

IUPACN-[5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-fluorophenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cc(S(=O)(=O)N2CCC(NCC3CC3)CC2)ccc1F.Cl
InChIInChI=1S/C17H24FN3O3S.ClH/c1-12(22)20-17-10-15(4-5-16(17)18)25(23,24)21-8-6-14(7-9-21)19-11-13-2-3-13;/h4-5,10,13-14,19H,2-3,6-9,11H2,1H3,(H,20,22);1H
InChIKeyIJLKDDNAVDQYAB-UHFFFAOYSA-N
MW405.92 g/mol
LogP2.36
Rot. Bonds6

About N-[5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-fluorophenyl]acetamide;hydrochloride

N-[5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-fluorophenyl]acetamide;hydrochloride (PubChem CID 119987931) has the molecular formula C17H25ClFN3O3S and a molecular weight of 405.92 g/mol. Its IUPAC name is N-[5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-fluorophenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-fluorophenyl]acetamide;hydrochloride
PubChem CID119987931
Molecular FormulaC17H25ClFN3O3S
Molecular Weight405.92 g/mol
Exact Mass405.13
IUPAC NameN-[5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-fluorophenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cc(S(=O)(=O)N2CCC(NCC3CC3)CC2)ccc1F.Cl
InChIInChI=1S/C17H24FN3O3S.ClH/c1-12(22)20-17-10-15(4-5-16(17)18)25(23,24)21-8-6-14(7-9-21)19-11-13-2-3-13;/h4-5,10,13-14,19H,2-3,6-9,11H2,1H3,(H,20,22);1H
InChIKeyIJLKDDNAVDQYAB-UHFFFAOYSA-N
XLogP2.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.92
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-fluoro-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978571
N-[2-methyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 119978274
N-(cyclopropylmethyl)-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-4-amine
CID 119987863
methyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119987530
1-[6-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 119987858
N-[5-(2,5-dihydropyrrol-1-ylsulfonyl)-2-fluorophenyl]acetamide
CID 126840764
5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-methylbenzamide
CID 119987776
N-(cyclopropylmethyl)-1-naphthalen-2-ylsulfonylpiperidin-4-amine;hydrochloride
CID 119987587
N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylphenyl]propanamide
CID 119987555
N-[5-(2-azabicyclo[4.1.0]heptan-2-ylsulfonyl)-2-fluorophenyl]acetamide
CID 126826986
ethyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119987752
1-(5-chloro-2-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine
CID 120894115

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-fluorophenyl]acetamide;hydrochloride?
The IUPAC name of N-[5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-fluorophenyl]acetamide;hydrochloride (CID 119987931) is N-[5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-fluorophenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-fluorophenyl]acetamide;hydrochloride?
The canonical SMILES for N-[5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-fluorophenyl]acetamide;hydrochloride is CC(=O)Nc1cc(S(=O)(=O)N2CCC(NCC3CC3)CC2)ccc1F.Cl.
What is the InChIKey of N-[5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-fluorophenyl]acetamide;hydrochloride?
The InChIKey is IJLKDDNAVDQYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3S.ClH/c1-12(22)20-17-10-15(4-5-16(17)18)25(23,24)21-8-6-14(7-9-21)19-11-13-2-3-13;/h4-5,10,13-14,19H,2-3,6-9,11H2,1H3,(H,20,22);1H.
What are the key properties of N-[5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-fluorophenyl]acetamide;hydrochloride?
N-[5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-fluorophenyl]acetamide;hydrochloride has a molecular weight of 405.92 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-fluorophenyl]acetamide;hydrochloride is sourced from PubChem (CID 119987931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).