[(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-(5-ethyl-3-phenyl-1-tricyclo[3.3.1.03,7]nonanyl)methanone

C23H31FN2O — CID 137436309

IUPAC[(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-(5-ethyl-3-phenyl-1-tricyclo[3.3.1.03,7]nonanyl)methanone
SMILESCCC12CC3CC(C(=O)N4CC[C@H](N)[C@@H](F)C4)(C1)CC3(c1ccccc1)C2
InChIInChI=1S/C23H31FN2O/c1-2-21-10-17-11-22(13-21,20(27)26-9-8-19(25)18(24)12-26)15-23(17,14-21)16-6-4-3-5-7-16/h3-7,17-19H,2,8-15,25H2,1H3/t17?,18-,19-,21?,22?,23?/m0/s1
InChIKeyYQCNSVQTLUBJDQ-APXJQIATSA-N
MW370.51 g/mol
LogP3.81
Rot. Bonds3

About [(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-(5-ethyl-3-phenyl-1-tricyclo[3.3.1.03,7]nonanyl)methanone

[(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-(5-ethyl-3-phenyl-1-tricyclo[3.3.1.03,7]nonanyl)methanone (PubChem CID 137436309) has the molecular formula C23H31FN2O and a molecular weight of 370.51 g/mol. Its IUPAC name is [(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-(5-ethyl-3-phenyl-1-tricyclo[3.3.1.03,7]nonanyl)methanone.

Molecular Properties

Compound Name[(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-(5-ethyl-3-phenyl-1-tricyclo[3.3.1.03,7]nonanyl)methanone
PubChem CID137436309
Molecular FormulaC23H31FN2O
Molecular Weight370.51 g/mol
Exact Mass370.24
IUPAC Name[(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-(5-ethyl-3-phenyl-1-tricyclo[3.3.1.03,7]nonanyl)methanone
SMILESCCC12CC3CC(C(=O)N4CC[C@H](N)[C@@H](F)C4)(C1)CC3(c1ccccc1)C2
InChIInChI=1S/C23H31FN2O/c1-2-21-10-17-11-22(13-21,20(27)26-9-8-19(25)18(24)12-26)15-23(17,14-21)16-6-4-3-5-7-16/h3-7,17-19H,2,8-15,25H2,1H3/t17?,18-,19-,21?,22?,23?/m0/s1
InChIKeyYQCNSVQTLUBJDQ-APXJQIATSA-N
XLogP3.81
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.51
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-(5-ethyl-3-phenyl-1-tricyclo[3.3.1.03,7]nonanyl)methanone with MolForge

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Launch Full Analysis

Related Compounds

5-ethyl-N-[(3R,4R)-3-fluoropiperidin-4-yl]-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide
CID 166908354
(4-amino-3-ethylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 81457070
(3S)-5-(fluoromethyl)-3-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-1-carboxamide
CID 166908966
benzyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate;hydrochloride
CID 129320025
[(3R)-3-aminopiperidin-1-yl]-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.3.1.03,9.05,9]undecanyl]methanone
CID 142519838
4-amino-3-fluoropiperidine-1-carboxylic acid
CID 66782220
2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5S)-3-ethyl-5-phenyl-1-adamantyl]ethanone
CID 157269484
(4-aminoazepan-1-yl)-(3-methyl-5-phenyl-1-adamantyl)methanone
CID 142519878
[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-(6-methyl-3-phenyl-1-adamantyl)methanone
CID 162526040
[(3S)-3-aminopyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119934201
[(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone
CID 130269979
2,7-diazaspiro[3.5]nonan-7-yl-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone
CID 162525952

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-(5-ethyl-3-phenyl-1-tricyclo[3.3.1.03,7]nonanyl)methanone?
The IUPAC name of [(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-(5-ethyl-3-phenyl-1-tricyclo[3.3.1.03,7]nonanyl)methanone (CID 137436309) is [(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-(5-ethyl-3-phenyl-1-tricyclo[3.3.1.03,7]nonanyl)methanone.
What is the SMILES notation for [(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-(5-ethyl-3-phenyl-1-tricyclo[3.3.1.03,7]nonanyl)methanone?
The canonical SMILES for [(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-(5-ethyl-3-phenyl-1-tricyclo[3.3.1.03,7]nonanyl)methanone is CCC12CC3CC(C(=O)N4CC[C@H](N)[C@@H](F)C4)(C1)CC3(c1ccccc1)C2.
What is the InChIKey of [(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-(5-ethyl-3-phenyl-1-tricyclo[3.3.1.03,7]nonanyl)methanone?
The InChIKey is YQCNSVQTLUBJDQ-APXJQIATSA-N. The full InChI is InChI=1S/C23H31FN2O/c1-2-21-10-17-11-22(13-21,20(27)26-9-8-19(25)18(24)12-26)15-23(17,14-21)16-6-4-3-5-7-16/h3-7,17-19H,2,8-15,25H2,1H3/t17?,18-,19-,21?,22?,23?/m0/s1.
What are the key properties of [(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-(5-ethyl-3-phenyl-1-tricyclo[3.3.1.03,7]nonanyl)methanone?
[(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-(5-ethyl-3-phenyl-1-tricyclo[3.3.1.03,7]nonanyl)methanone has a molecular weight of 370.51 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-(5-ethyl-3-phenyl-1-tricyclo[3.3.1.03,7]nonanyl)methanone is sourced from PubChem (CID 137436309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).