1-(4-fluorophenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide

C21H24FN3O3S — CID 90521668

IUPAC1-(4-fluorophenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H24FN3O3S/c22-18-5-3-17(4-6-18)21(9-10-21)20(26)24-14-16-7-12-25(13-8-16)29(27,28)19-2-1-11-23-15-19/h1-6,11,15-16H,7-10,12-14H2,(H,24,26)
InChIKeyVYYGKCZPRQZAIH-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.47
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 90521668) has the molecular formula C21H24FN3O3S and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
PubChem CID90521668
Molecular FormulaC21H24FN3O3S
Molecular Weight417.51 g/mol
Exact Mass417.15
IUPAC Name1-(4-fluorophenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H24FN3O3S/c22-18-5-3-17(4-6-18)21(9-10-21)20(26)24-14-16-7-12-25(13-8-16)29(27,28)19-2-1-11-23-15-19/h1-6,11,15-16H,7-10,12-14H2,(H,24,26)
InChIKeyVYYGKCZPRQZAIH-UHFFFAOYSA-N
XLogP2.47
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxane-4-carboxamide
CID 121109551
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 90521524
N-propyl-N'-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521045
N'-tert-butyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521047
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pent-4-enamide
CID 90521514
2,5-dichloro-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide
CID 90521613
1-methyl-2-oxo-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 90521554
N'-(4-fluorobenzoyl)-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide
CID 30885794
4-cyano-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide
CID 90521543
N'-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 71786370
N'-(4-methylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521056

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide (CID 90521668) is 1-(4-fluorophenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide is O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is VYYGKCZPRQZAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3S/c22-18-5-3-17(4-6-18)21(9-10-21)20(26)24-14-16-7-12-25(13-8-16)29(27,28)19-2-1-11-23-15-19/h1-6,11,15-16H,7-10,12-14H2,(H,24,26).
What are the key properties of 1-(4-fluorophenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 90521668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).