(1R,7R)-7-(2-fluoroethyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide

C23H30F2N2O — CID 162525935

IUPAC(1R,7R)-7-(2-fluoroethyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESO=C(N[C@@H]1CCNC[C@H]1F)C12CC3C[C@](c4ccccc4)(C1)C[C@@]2(CCF)C3
InChIInChI=1S/C23H30F2N2O/c24-8-7-22-11-16-10-21(14-22,17-4-2-1-3-5-17)15-23(22,12-16)20(28)27-19-6-9-26-13-18(19)25/h1-5,16,18-19,26H,6-15H2,(H,27,28)/t16?,18-,19-,21-,22-,23?/m1/s1
InChIKeySPKZTTCXCCKXFO-WHGXQYHCSA-N
MW388.50 g/mol
LogP3.68
Rot. Bonds5

About (1R,7R)-7-(2-fluoroethyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide

(1R,7R)-7-(2-fluoroethyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 162525935) has the molecular formula C23H30F2N2O and a molecular weight of 388.50 g/mol. Its IUPAC name is (1R,7R)-7-(2-fluoroethyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound Name(1R,7R)-7-(2-fluoroethyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID162525935
Molecular FormulaC23H30F2N2O
Molecular Weight388.50 g/mol
Exact Mass388.23
IUPAC Name(1R,7R)-7-(2-fluoroethyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESO=C(N[C@@H]1CCNC[C@H]1F)C12CC3C[C@](c4ccccc4)(C1)C[C@@]2(CCF)C3
InChIInChI=1S/C23H30F2N2O/c24-8-7-22-11-16-10-21(14-22,17-4-2-1-3-5-17)15-23(22,12-16)20(28)27-19-6-9-26-13-18(19)25/h1-5,16,18-19,26H,6-15H2,(H,27,28)/t16?,18-,19-,21-,22-,23?/m1/s1
InChIKeySPKZTTCXCCKXFO-WHGXQYHCSA-N
XLogP3.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,7R)-7-(2-fluoroethyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of (1R,7R)-7-(2-fluoroethyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 162525935) is (1R,7R)-7-(2-fluoroethyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for (1R,7R)-7-(2-fluoroethyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for (1R,7R)-7-(2-fluoroethyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide is O=C(N[C@@H]1CCNC[C@H]1F)C12CC3C[C@](c4ccccc4)(C1)C[C@@]2(CCF)C3.
What is the InChIKey of (1R,7R)-7-(2-fluoroethyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is SPKZTTCXCCKXFO-WHGXQYHCSA-N. The full InChI is InChI=1S/C23H30F2N2O/c24-8-7-22-11-16-10-21(14-22,17-4-2-1-3-5-17)15-23(22,12-16)20(28)27-19-6-9-26-13-18(19)25/h1-5,16,18-19,26H,6-15H2,(H,27,28)/t16?,18-,19-,21-,22-,23?/m1/s1.
What are the key properties of (1R,7R)-7-(2-fluoroethyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
(1R,7R)-7-(2-fluoroethyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 388.50 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7R)-7-(2-fluoroethyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 162525935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).