3-N-[(3S,4R)-3-fluoropiperidin-4-yl]spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2,3-dicarboxamide

C16H24FN3O2 — CID 172695951

IUPAC3-N-[(3S,4R)-3-fluoropiperidin-4-yl]spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2,3-dicarboxamide
SMILESNC(=O)C1C(C(=O)N[C@@H]2CCNC[C@@H]2F)C2CCC1C21CC1
InChIInChI=1S/C16H24FN3O2/c17-10-7-19-6-3-11(10)20-15(22)13-9-2-1-8(12(13)14(18)21)16(9)4-5-16/h8-13,19H,1-7H2,(H2,18,21)(H,20,22)/t8?,9?,10-,11+,12?,13?/m0/s1
InChIKeyCIAYFMBNXRYDNZ-JAJQXKFESA-N
MW309.39 g/mol
LogP0.34
Rot. Bonds3

About 3-N-[(3S,4R)-3-fluoropiperidin-4-yl]spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2,3-dicarboxamide

3-N-[(3S,4R)-3-fluoropiperidin-4-yl]spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2,3-dicarboxamide (PubChem CID 172695951) has the molecular formula C16H24FN3O2 and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-N-[(3S,4R)-3-fluoropiperidin-4-yl]spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(3S,4R)-3-fluoropiperidin-4-yl]spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2,3-dicarboxamide
PubChem CID172695951
Molecular FormulaC16H24FN3O2
Molecular Weight309.39 g/mol
Exact Mass309.19
IUPAC Name3-N-[(3S,4R)-3-fluoropiperidin-4-yl]spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2,3-dicarboxamide
SMILESNC(=O)C1C(C(=O)N[C@@H]2CCNC[C@@H]2F)C2CCC1C21CC1
InChIInChI=1S/C16H24FN3O2/c17-10-7-19-6-3-11(10)20-15(22)13-9-2-1-8(12(13)14(18)21)16(9)4-5-16/h8-13,19H,1-7H2,(H2,18,21)(H,20,22)/t8?,9?,10-,11+,12?,13?/m0/s1
InChIKeyCIAYFMBNXRYDNZ-JAJQXKFESA-N
XLogP0.34
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(3S,4R)-3-fluoropiperidin-4-yl]spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2,3-dicarboxamide?
The IUPAC name of 3-N-[(3S,4R)-3-fluoropiperidin-4-yl]spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2,3-dicarboxamide (CID 172695951) is 3-N-[(3S,4R)-3-fluoropiperidin-4-yl]spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2,3-dicarboxamide.
What is the SMILES notation for 3-N-[(3S,4R)-3-fluoropiperidin-4-yl]spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2,3-dicarboxamide?
The canonical SMILES for 3-N-[(3S,4R)-3-fluoropiperidin-4-yl]spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2,3-dicarboxamide is NC(=O)C1C(C(=O)N[C@@H]2CCNC[C@@H]2F)C2CCC1C21CC1.
What is the InChIKey of 3-N-[(3S,4R)-3-fluoropiperidin-4-yl]spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2,3-dicarboxamide?
The InChIKey is CIAYFMBNXRYDNZ-JAJQXKFESA-N. The full InChI is InChI=1S/C16H24FN3O2/c17-10-7-19-6-3-11(10)20-15(22)13-9-2-1-8(12(13)14(18)21)16(9)4-5-16/h8-13,19H,1-7H2,(H2,18,21)(H,20,22)/t8?,9?,10-,11+,12?,13?/m0/s1.
What are the key properties of 3-N-[(3S,4R)-3-fluoropiperidin-4-yl]spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2,3-dicarboxamide?
3-N-[(3S,4R)-3-fluoropiperidin-4-yl]spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2,3-dicarboxamide has a molecular weight of 309.39 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3S,4R)-3-fluoropiperidin-4-yl]spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2,3-dicarboxamide is sourced from PubChem (CID 172695951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).