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

C23H31FN2O — CID 166908354

IUPAC5-ethyl-N-[(3R,4R)-3-fluoropiperidin-4-yl]-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide
SMILESCCC12CC3CC(C(=O)N[C@@H]4CCNC[C@H]4F)(C1)CC3(c1ccccc1)C2
InChIInChI=1S/C23H31FN2O/c1-2-21-10-17-11-22(13-21,20(27)26-19-8-9-25-12-18(19)24)15-23(17,14-21)16-6-4-3-5-7-16/h3-7,17-19,25H,2,8-15H2,1H3,(H,26,27)/t17?,18-,19-,21?,22?,23?/m1/s1
InChIKeyKMWFSQMACHUINK-ITIRWTBASA-N
MW370.51 g/mol
LogP3.73
Rot. Bonds4

About 5-ethyl-N-[(3R,4R)-3-fluoropiperidin-4-yl]-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide

5-ethyl-N-[(3R,4R)-3-fluoropiperidin-4-yl]-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide (PubChem CID 166908354) has the molecular formula C23H31FN2O and a molecular weight of 370.51 g/mol. Its IUPAC name is 5-ethyl-N-[(3R,4R)-3-fluoropiperidin-4-yl]-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(3R,4R)-3-fluoropiperidin-4-yl]-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide
PubChem CID166908354
Molecular FormulaC23H31FN2O
Molecular Weight370.51 g/mol
Exact Mass370.24
IUPAC Name5-ethyl-N-[(3R,4R)-3-fluoropiperidin-4-yl]-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide
SMILESCCC12CC3CC(C(=O)N[C@@H]4CCNC[C@H]4F)(C1)CC3(c1ccccc1)C2
InChIInChI=1S/C23H31FN2O/c1-2-21-10-17-11-22(13-21,20(27)26-19-8-9-25-12-18(19)24)15-23(17,14-21)16-6-4-3-5-7-16/h3-7,17-19,25H,2,8-15H2,1H3,(H,26,27)/t17?,18-,19-,21?,22?,23?/m1/s1
InChIKeyKMWFSQMACHUINK-ITIRWTBASA-N
XLogP3.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.51
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-5-(fluoromethyl)-3-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-1-carboxamide
CID 166908966
(3S,5S)-3-(fluoromethyl)-N-(3-methylpiperidin-4-yl)-5-phenyladamantane-1-carboxamide
CID 137435953
[(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-(5-ethyl-3-phenyl-1-tricyclo[3.3.1.03,7]nonanyl)methanone
CID 137436309
(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
(1R,7R)-7-(2-fluoroethyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 162525935
(5R)-N-(3,3-dimethylpiperidin-4-yl)-3-ethyl-5-phenyladamantane-1-carboxamide
CID 137436159
(5S,7S)-N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-[4-[(1R,3R)-3-ethyl-5-[(3-methylpiperidin-4-yl)carbamoyl]-1-adamantyl]phenyl]-5-methyl-7-phenyladamantane-1-carboxamide
CID 167295259
(3S,5S)-3-(fluoromethyl)-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide
CID 137435864
N-(2-azaspiro[3.3]heptan-6-yl)-5-methyl-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide
CID 130269738
[(3R,4S)-3-fluoropiperidin-4-yl]carbamic acid
CID 68560075
N-[(3S,4S)-3-fluoropiperidin-4-yl]-1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 169209409
N-(3-methylpiperidin-4-yl)-1-phenylcyclopropane-1-carboxamide
CID 120555297

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(3R,4R)-3-fluoropiperidin-4-yl]-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide?
The IUPAC name of 5-ethyl-N-[(3R,4R)-3-fluoropiperidin-4-yl]-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide (CID 166908354) is 5-ethyl-N-[(3R,4R)-3-fluoropiperidin-4-yl]-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(3R,4R)-3-fluoropiperidin-4-yl]-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide?
The canonical SMILES for 5-ethyl-N-[(3R,4R)-3-fluoropiperidin-4-yl]-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide is CCC12CC3CC(C(=O)N[C@@H]4CCNC[C@H]4F)(C1)CC3(c1ccccc1)C2.
What is the InChIKey of 5-ethyl-N-[(3R,4R)-3-fluoropiperidin-4-yl]-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide?
The InChIKey is KMWFSQMACHUINK-ITIRWTBASA-N. The full InChI is InChI=1S/C23H31FN2O/c1-2-21-10-17-11-22(13-21,20(27)26-19-8-9-25-12-18(19)24)15-23(17,14-21)16-6-4-3-5-7-16/h3-7,17-19,25H,2,8-15H2,1H3,(H,26,27)/t17?,18-,19-,21?,22?,23?/m1/s1.
What are the key properties of 5-ethyl-N-[(3R,4R)-3-fluoropiperidin-4-yl]-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide?
5-ethyl-N-[(3R,4R)-3-fluoropiperidin-4-yl]-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide has a molecular weight of 370.51 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(3R,4R)-3-fluoropiperidin-4-yl]-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide is sourced from PubChem (CID 166908354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).