1-[2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetyl]piperidine-4-carboxamide

C20H28FN3O4S — CID 1072980

IUPAC1-[2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H28FN3O4S/c21-16-6-8-18(9-7-16)29(27,28)24(17-4-2-1-3-5-17)14-19(25)23-12-10-15(11-13-23)20(22)26/h6-9,15,17H,1-5,10-14H2,(H2,22,26)
InChIKeyCCRNIVSKJLAKRD-UHFFFAOYSA-N
MW425.53 g/mol
LogP1.87
Rot. Bonds6

About 1-[2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetyl]piperidine-4-carboxamide

1-[2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetyl]piperidine-4-carboxamide (PubChem CID 1072980) has the molecular formula C20H28FN3O4S and a molecular weight of 425.53 g/mol. Its IUPAC name is 1-[2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetyl]piperidine-4-carboxamide
PubChem CID1072980
Molecular FormulaC20H28FN3O4S
Molecular Weight425.53 g/mol
Exact Mass425.18
IUPAC Name1-[2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H28FN3O4S/c21-16-6-8-18(9-7-16)29(27,28)24(17-4-2-1-3-5-17)14-19(25)23-12-10-15(11-13-23)20(22)26/h6-9,15,17H,1-5,10-14H2,(H2,22,26)
InChIKeyCCRNIVSKJLAKRD-UHFFFAOYSA-N
XLogP1.87
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetyl]piperidine-4-carboxamide (CID 1072980) is 1-[2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetyl]piperidine-4-carboxamide?
The InChIKey is CCRNIVSKJLAKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O4S/c21-16-6-8-18(9-7-16)29(27,28)24(17-4-2-1-3-5-17)14-19(25)23-12-10-15(11-13-23)20(22)26/h6-9,15,17H,1-5,10-14H2,(H2,22,26).
What are the key properties of 1-[2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetyl]piperidine-4-carboxamide?
1-[2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetyl]piperidine-4-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 1072980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).