(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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Related Compounds

(3S,5S)-3-(fluoromethyl)-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide
CID 137435864
5-ethyl-N-[(3R,4R)-3-fluoropiperidin-4-yl]-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide
CID 166908354
N-(2-azaspiro[3.3]heptan-6-yl)-5-methyl-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide
CID 130269738
(3S,5S)-3-(fluoromethyl)-N-(3-methylpiperidin-4-yl)-5-phenyladamantane-1-carboxamide
CID 137435953
(3S,5R)-N-(4-aminocyclohexyl)-5-(2-fluoroethyl)-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide
CID 137436257
(3S,5R)-N-(4-aminocyclohexyl)-3-(2-fluoroethyl)-5-phenyladamantane-1-carboxamide
CID 137436155
(3S,7S)-3-(2-fluoroethyl)-5-[4-[(1R,3S)-3-(2-fluoroethyl)-5-[[(3R,4R)-3-fluoropiperidin-4-yl]carbamoyl]-1-adamantyl]phenyl]-7-[4-[(3R,7S)-3-(fluoromethyl)-5-[[(2R,4S)-2-methylpiperidin-4-yl]carbamoyl]-7-phenyl-1-adamantyl]phenyl]-N-[(3S,4S)-3-fluoropiperidin-4-yl]adamantane-1-carboxamide
CID 175634098
(3R,5R)-N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-(fluoromethyl)-5-phenyladamantane-1-carboxamide
CID 137436092
N-(4-aminocyclohexyl)-3-methyl-5-phenyladamantane-1-carboxamide
CID 152871733
fluoroethane;3-methyl-1-phenyl-N-piperidin-4-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 162754729
(3S,5R)-5-ethyl-N-[(2R,4S)-2-methylpiperidin-4-yl]-3-phenyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide
CID 137436215
2-phenyl-N-piperidin-4-ylacetamide
CID 1445168

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).