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

C24H33FN2O — CID 137436221

IUPAC(1R,7R)-7-(2-fluoroethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESC[C@@H]1C[C@@H](NC(=O)C23CC4C[C@](c5ccccc5)(C2)C[C@@]3(CCF)C4)CCN1
InChIInChI=1S/C24H33FN2O/c1-17-11-20(7-10-26-17)27-21(28)24-14-18-12-22(16-24,19-5-3-2-4-6-19)15-23(24,13-18)8-9-25/h2-6,17-18,20,26H,7-16H2,1H3,(H,27,28)/t17-,18?,20+,22-,23-,24?/m1/s1
InChIKeyQIMYUIXZHTWCAH-JGZOYESMSA-N
MW384.54 g/mol
LogP4.12
Rot. Bonds5

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

(1R,7R)-7-(2-fluoroethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 137436221) has the molecular formula C24H33FN2O and a molecular weight of 384.54 g/mol. Its IUPAC name is (1R,7R)-7-(2-fluoroethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound Name(1R,7R)-7-(2-fluoroethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID137436221
Molecular FormulaC24H33FN2O
Molecular Weight384.54 g/mol
Exact Mass384.26
IUPAC Name(1R,7R)-7-(2-fluoroethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESC[C@@H]1C[C@@H](NC(=O)C23CC4C[C@](c5ccccc5)(C2)C[C@@]3(CCF)C4)CCN1
InChIInChI=1S/C24H33FN2O/c1-17-11-20(7-10-26-17)27-21(28)24-14-18-12-22(16-24,19-5-3-2-4-6-19)15-23(24,13-18)8-9-25/h2-6,17-18,20,26H,7-16H2,1H3,(H,27,28)/t17-,18?,20+,22-,23-,24?/m1/s1
InChIKeyQIMYUIXZHTWCAH-JGZOYESMSA-N
XLogP4.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,7R)-7-(2-fluoroethyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 162525935
(1R,7R)-7-(2-fluoroethyl)-1-phenyl-N-piperazin-1-yltricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 166908862
(1R,7R)-7-ethyl-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 166908964
(1R,7R)-7-(2-chloroethyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 137436151
(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
(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
(3S,5S)-5-(ethoxymethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide
CID 137436293
1-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]-2-[(2R,4R)-2-methylpiperidin-4-yl]ethanone
CID 162166713
(3S,5S)-3-(fluoromethyl)-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide
CID 137435864
1-[(3S,5S)-3-methyl-5-phenyl-1-adamantyl]-2-[(2S,4S)-2-methylpiperidin-4-yl]ethanone
CID 159784980
N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
1-(3-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 120598674

Frequently Asked Questions

What is the IUPAC name of (1R,7R)-7-(2-fluoroethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of (1R,7R)-7-(2-fluoroethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 137436221) is (1R,7R)-7-(2-fluoroethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for (1R,7R)-7-(2-fluoroethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for (1R,7R)-7-(2-fluoroethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide is C[C@@H]1C[C@@H](NC(=O)C23CC4C[C@](c5ccccc5)(C2)C[C@@]3(CCF)C4)CCN1.
What is the InChIKey of (1R,7R)-7-(2-fluoroethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is QIMYUIXZHTWCAH-JGZOYESMSA-N. The full InChI is InChI=1S/C24H33FN2O/c1-17-11-20(7-10-26-17)27-21(28)24-14-18-12-22(16-24,19-5-3-2-4-6-19)15-23(24,13-18)8-9-25/h2-6,17-18,20,26H,7-16H2,1H3,(H,27,28)/t17-,18?,20+,22-,23-,24?/m1/s1.
What are the key properties of (1R,7R)-7-(2-fluoroethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
(1R,7R)-7-(2-fluoroethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 384.54 g/mol, XLogP of 4.12, 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-[(2R,4S)-2-methylpiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 137436221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).