(3S)-5-(fluoromethyl)-3-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-1-carboxamide

C22H29FN2O — CID 166908966

IUPAC(3S)-5-(fluoromethyl)-3-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-1-carboxamide
SMILESO=C(NC1CCNCC1)C12CC3CC(CF)(C1)C[C@@]3(c1ccccc1)C2
InChIInChI=1S/C22H29FN2O/c23-15-20-10-17-11-21(12-20,19(26)25-18-6-8-24-9-7-18)14-22(17,13-20)16-4-2-1-3-5-16/h1-5,17-18,24H,6-15H2,(H,25,26)/t17?,20?,21?,22-/m0/s1
InChIKeyOJQZJEHHBALQFF-MUBNQFKJSA-N
MW356.49 g/mol
LogP3.34
Rot. Bonds4

About (3S)-5-(fluoromethyl)-3-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-1-carboxamide

(3S)-5-(fluoromethyl)-3-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-1-carboxamide (PubChem CID 166908966) has the molecular formula C22H29FN2O and a molecular weight of 356.49 g/mol. Its IUPAC name is (3S)-5-(fluoromethyl)-3-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-1-carboxamide.

Molecular Properties

Compound Name(3S)-5-(fluoromethyl)-3-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-1-carboxamide
PubChem CID166908966
Molecular FormulaC22H29FN2O
Molecular Weight356.49 g/mol
Exact Mass356.23
IUPAC Name(3S)-5-(fluoromethyl)-3-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-1-carboxamide
SMILESO=C(NC1CCNCC1)C12CC3CC(CF)(C1)C[C@@]3(c1ccccc1)C2
InChIInChI=1S/C22H29FN2O/c23-15-20-10-17-11-21(12-20,19(26)25-18-6-8-24-9-7-18)14-22(17,13-20)16-4-2-1-3-5-16/h1-5,17-18,24H,6-15H2,(H,25,26)/t17?,20?,21?,22-/m0/s1
InChIKeyOJQZJEHHBALQFF-MUBNQFKJSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-(fluoromethyl)-3-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-1-carboxamide?
The IUPAC name of (3S)-5-(fluoromethyl)-3-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-1-carboxamide (CID 166908966) is (3S)-5-(fluoromethyl)-3-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-1-carboxamide.
What is the SMILES notation for (3S)-5-(fluoromethyl)-3-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-1-carboxamide?
The canonical SMILES for (3S)-5-(fluoromethyl)-3-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-1-carboxamide is O=C(NC1CCNCC1)C12CC3CC(CF)(C1)C[C@@]3(c1ccccc1)C2.
What is the InChIKey of (3S)-5-(fluoromethyl)-3-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-1-carboxamide?
The InChIKey is OJQZJEHHBALQFF-MUBNQFKJSA-N. The full InChI is InChI=1S/C22H29FN2O/c23-15-20-10-17-11-21(12-20,19(26)25-18-6-8-24-9-7-18)14-22(17,13-20)16-4-2-1-3-5-16/h1-5,17-18,24H,6-15H2,(H,25,26)/t17?,20?,21?,22-/m0/s1.
What are the key properties of (3S)-5-(fluoromethyl)-3-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-1-carboxamide?
(3S)-5-(fluoromethyl)-3-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-1-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-(fluoromethyl)-3-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-1-carboxamide is sourced from PubChem (CID 166908966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).