[(3R)-3-aminopiperidin-1-yl]-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.3.1.03,9.05,9]undecanyl]methanone

C24H32N2O — CID 142519838

IUPAC[(3R)-3-aminopiperidin-1-yl]-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.3.1.03,9.05,9]undecanyl]methanone
SMILESC[C@]12CC3CC4(C(=O)N5CCC[C@@H](N)C5)CC1(C3)[C@](c1ccccc1)(C4)C2
InChIInChI=1S/C24H32N2O/c1-21-10-17-11-22(20(27)26-9-5-8-19(25)13-26)15-23(14-21,24(21,12-17)16-22)18-6-3-2-4-7-18/h2-4,6-7,17,19H,5,8-16,25H2,1H3/t17?,19-,21-,22?,23+,24?/m1/s1
InChIKeyPJBXVWZWSQAEBF-OLVIVKQXSA-N
MW364.53 g/mol
LogP3.86
Rot. Bonds2

About [(3R)-3-aminopiperidin-1-yl]-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.3.1.03,9.05,9]undecanyl]methanone

[(3R)-3-aminopiperidin-1-yl]-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.3.1.03,9.05,9]undecanyl]methanone (PubChem CID 142519838) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.3.1.03,9.05,9]undecanyl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.3.1.03,9.05,9]undecanyl]methanone
PubChem CID142519838
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.3.1.03,9.05,9]undecanyl]methanone
SMILESC[C@]12CC3CC4(C(=O)N5CCC[C@@H](N)C5)CC1(C3)[C@](c1ccccc1)(C4)C2
InChIInChI=1S/C24H32N2O/c1-21-10-17-11-22(20(27)26-9-5-8-19(25)13-26)15-23(14-21,24(21,12-17)16-22)18-6-3-2-4-7-18/h2-4,6-7,17,19H,5,8-16,25H2,1H3/t17?,19-,21-,22?,23+,24?/m1/s1
InChIKeyPJBXVWZWSQAEBF-OLVIVKQXSA-N
XLogP3.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-N-[(8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-5-methyl-3-phenyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide
CID 162525423
(4-aminoazepan-1-yl)-(3-methyl-5-phenyl-1-adamantyl)methanone
CID 142519878
(3-phenyl-1-tetracyclo[5.3.1.03,9.05,9]undecanyl)-pyrrolidin-1-ylmethanone
CID 142519925
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
[(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone
CID 130269979
3-phenyl-5-(pyrrolidine-1-carbonyl)adamantane-1-carboxylic acid
CID 130247690
(3-aminopiperidin-1-yl)-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride
CID 119378259
2-(3-aminopiperidine-1-carbonyl)-3,6-dimethylbenzoic acid
CID 103428976
[2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone
CID 119412358
[(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-(5-ethyl-3-phenyl-1-tricyclo[3.3.1.03,7]nonanyl)methanone
CID 137436309
[(3S)-3-aminopyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119934201
[(3S)-3-aminopiperidin-1-yl]-[4-(3-bromophenyl)oxan-4-yl]methanone
CID 124593829

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.3.1.03,9.05,9]undecanyl]methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.3.1.03,9.05,9]undecanyl]methanone (CID 142519838) is [(3R)-3-aminopiperidin-1-yl]-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.3.1.03,9.05,9]undecanyl]methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.3.1.03,9.05,9]undecanyl]methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.3.1.03,9.05,9]undecanyl]methanone is C[C@]12CC3CC4(C(=O)N5CCC[C@@H](N)C5)CC1(C3)[C@](c1ccccc1)(C4)C2.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.3.1.03,9.05,9]undecanyl]methanone?
The InChIKey is PJBXVWZWSQAEBF-OLVIVKQXSA-N. The full InChI is InChI=1S/C24H32N2O/c1-21-10-17-11-22(20(27)26-9-5-8-19(25)13-26)15-23(14-21,24(21,12-17)16-22)18-6-3-2-4-7-18/h2-4,6-7,17,19H,5,8-16,25H2,1H3/t17?,19-,21-,22?,23+,24?/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.3.1.03,9.05,9]undecanyl]methanone?
[(3R)-3-aminopiperidin-1-yl]-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.3.1.03,9.05,9]undecanyl]methanone has a molecular weight of 364.53 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.3.1.03,9.05,9]undecanyl]methanone is sourced from PubChem (CID 142519838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).