[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-piperidin-3-ylmethanone

C15H26N2O — CID 102726290

IUPAC[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-piperidin-3-ylmethanone
SMILESO=C(C1CCCNC1)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C15H26N2O/c18-15(13-6-3-9-16-11-13)17-10-4-7-12-5-1-2-8-14(12)17/h12-14,16H,1-11H2/t12-,13?,14-/m1/s1
InChIKeyVPGDPDBSTSEWKE-WYAMFQBQSA-N
MW250.39 g/mol
LogP2.17
Rot. Bonds1

About [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-piperidin-3-ylmethanone

[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-piperidin-3-ylmethanone (PubChem CID 102726290) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-piperidin-3-ylmethanone.

Molecular Properties

Compound Name[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-piperidin-3-ylmethanone
PubChem CID102726290
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-piperidin-3-ylmethanone
SMILESO=C(C1CCCNC1)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C15H26N2O/c18-15(13-6-3-9-16-11-13)17-10-4-7-12-5-1-2-8-14(12)17/h12-14,16H,1-11H2/t12-,13?,14-/m1/s1
InChIKeyVPGDPDBSTSEWKE-WYAMFQBQSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-piperidin-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-cyclobutylpyrrolidin-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 119313249
cyclobutyl-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 110871989
[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)cyclohexyl]-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 60596758
(2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123466
(2-cyclopentylpyrrolidin-1-yl)-piperazin-2-ylmethanone
CID 63103464
(2R)-1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylic acid
CID 81134943
cyclobutyl-(2-cyclopropylpyrrolidin-1-yl)methanone
CID 110871814
4-(2-cyclopentylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 78983172
1-(2-cyclohexylpyrrolidin-1-yl)-2-piperidin-3-ylethanone
CID 62675266
1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one
CID 60979351
(2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129016
cyclopropyl-(2-cyclopropylpyrrolidin-1-yl)methanone
CID 110871757

Frequently Asked Questions

What is the IUPAC name of [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-piperidin-3-ylmethanone?
The IUPAC name of [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-piperidin-3-ylmethanone (CID 102726290) is [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-piperidin-3-ylmethanone.
What is the SMILES notation for [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-piperidin-3-ylmethanone?
The canonical SMILES for [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-piperidin-3-ylmethanone is O=C(C1CCCNC1)N1CCC[C@H]2CCCC[C@H]21.
What is the InChIKey of [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-piperidin-3-ylmethanone?
The InChIKey is VPGDPDBSTSEWKE-WYAMFQBQSA-N. The full InChI is InChI=1S/C15H26N2O/c18-15(13-6-3-9-16-11-13)17-10-4-7-12-5-1-2-8-14(12)17/h12-14,16H,1-11H2/t12-,13?,14-/m1/s1.
What are the key properties of [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-piperidin-3-ylmethanone?
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-piperidin-3-ylmethanone has a molecular weight of 250.39 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-piperidin-3-ylmethanone is sourced from PubChem (CID 102726290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).