1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-piperidin-2-ylpropan-1-one

C18H32N2O — CID 62210734

IUPAC1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-piperidin-2-ylpropan-1-one
SMILESCC1CCN(C(=O)CCC2CCCCN2)C2CCCCC12
InChIInChI=1S/C18H32N2O/c1-14-11-13-20(17-8-3-2-7-16(14)17)18(21)10-9-15-6-4-5-12-19-15/h14-17,19H,2-13H2,1H3
InChIKeyZYQKCXHCDAJWNM-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.34
Rot. Bonds3

About 1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-piperidin-2-ylpropan-1-one

1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-piperidin-2-ylpropan-1-one (PubChem CID 62210734) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-piperidin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-piperidin-2-ylpropan-1-one
PubChem CID62210734
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-piperidin-2-ylpropan-1-one
SMILESCC1CCN(C(=O)CCC2CCCCN2)C2CCCCC12
InChIInChI=1S/C18H32N2O/c1-14-11-13-20(17-8-3-2-7-16(14)17)18(21)10-9-15-6-4-5-12-19-15/h14-17,19H,2-13H2,1H3
InChIKeyZYQKCXHCDAJWNM-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-piperidin-2-ylpropan-1-one 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

1-(3-methoxy-4-methylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one
CID 102957327
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-piperidin-2-ylpropan-1-one
CID 62211780
(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104913359
N,N-dimethyl-4-(3-piperidin-2-ylpropanoyl)piperazine-1-carboxamide
CID 62211785
[2-[(4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoate
CID 124740392
2-(3-piperidin-2-ylpropanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102895671
1-(2,5-dimethylmorpholin-4-yl)-3-piperidin-2-ylpropan-1-one
CID 62211391
2-(cyclopropylamino)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone
CID 54871495
1-[(4R,4aS,8aS)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 100625441
ethyl 1-(3-piperidin-2-ylpropanoyl)piperidine-2-carboxylate
CID 62210746
1-(1,4-diazepan-1-yl)-3-piperidin-2-ylpropan-1-one
CID 62210868
1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one
CID 114236996

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-piperidin-2-ylpropan-1-one?
The IUPAC name of 1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-piperidin-2-ylpropan-1-one (CID 62210734) is 1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-piperidin-2-ylpropan-1-one.
What is the SMILES notation for 1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-piperidin-2-ylpropan-1-one?
The canonical SMILES for 1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-piperidin-2-ylpropan-1-one is CC1CCN(C(=O)CCC2CCCCN2)C2CCCCC12.
What is the InChIKey of 1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-piperidin-2-ylpropan-1-one?
The InChIKey is ZYQKCXHCDAJWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-14-11-13-20(17-8-3-2-7-16(14)17)18(21)10-9-15-6-4-5-12-19-15/h14-17,19H,2-13H2,1H3.
What are the key properties of 1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-piperidin-2-ylpropan-1-one?
1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-piperidin-2-ylpropan-1-one has a molecular weight of 292.47 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-piperidin-2-ylpropan-1-one is sourced from PubChem (CID 62210734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).