4-(4-fluorocyclohexyl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide

C19H35FN4O3S — CID 143176312

IUPAC4-(4-fluorocyclohexyl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide
SMILESO=C(NCCCN1CCCCC1)N1CCN(S(=O)(=O)C2CCC(F)CC2)CC1
InChIInChI=1S/C19H35FN4O3S/c20-17-5-7-18(8-6-17)28(26,27)24-15-13-23(14-16-24)19(25)21-9-4-12-22-10-2-1-3-11-22/h17-18H,1-16H2,(H,21,25)
InChIKeyIRYZIAXVYOPJPD-UHFFFAOYSA-N
MW418.58 g/mol
LogP1.80
Rot. Bonds6

About 4-(4-fluorocyclohexyl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide

4-(4-fluorocyclohexyl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide (PubChem CID 143176312) has the molecular formula C19H35FN4O3S and a molecular weight of 418.58 g/mol. Its IUPAC name is 4-(4-fluorocyclohexyl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorocyclohexyl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide
PubChem CID143176312
Molecular FormulaC19H35FN4O3S
Molecular Weight418.58 g/mol
Exact Mass418.24
IUPAC Name4-(4-fluorocyclohexyl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide
SMILESO=C(NCCCN1CCCCC1)N1CCN(S(=O)(=O)C2CCC(F)CC2)CC1
InChIInChI=1S/C19H35FN4O3S/c20-17-5-7-18(8-6-17)28(26,27)24-15-13-23(14-16-24)19(25)21-9-4-12-22-10-2-1-3-11-22/h17-18H,1-16H2,(H,21,25)
InChIKeyIRYZIAXVYOPJPD-UHFFFAOYSA-N
XLogP1.80
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorocyclohexyl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-fluorocyclohexyl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide (CID 143176312) is 4-(4-fluorocyclohexyl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorocyclohexyl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-fluorocyclohexyl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide is O=C(NCCCN1CCCCC1)N1CCN(S(=O)(=O)C2CCC(F)CC2)CC1.
What is the InChIKey of 4-(4-fluorocyclohexyl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide?
The InChIKey is IRYZIAXVYOPJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35FN4O3S/c20-17-5-7-18(8-6-17)28(26,27)24-15-13-23(14-16-24)19(25)21-9-4-12-22-10-2-1-3-11-22/h17-18H,1-16H2,(H,21,25).
What are the key properties of 4-(4-fluorocyclohexyl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide?
4-(4-fluorocyclohexyl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide has a molecular weight of 418.58 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorocyclohexyl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 143176312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).