2-(1-methylpiperidin-4-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone

C14H26N2O — CID 95969531

IUPAC2-(1-methylpiperidin-4-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCCN(C(=O)CC2CCN(C)CC2)C1
InChIInChI=1S/C14H26N2O/c1-12-4-3-7-16(11-12)14(17)10-13-5-8-15(2)9-6-13/h12-13H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyTZFASWUBIWGGRN-GFCCVEGCSA-N
MW238.37 g/mol
LogP1.98
Rot. Bonds2

About 2-(1-methylpiperidin-4-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone

2-(1-methylpiperidin-4-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone (PubChem CID 95969531) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
PubChem CID95969531
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-(1-methylpiperidin-4-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCCN(C(=O)CC2CCN(C)CC2)C1
InChIInChI=1S/C14H26N2O/c1-12-4-3-7-16(11-12)14(17)10-13-5-8-15(2)9-6-13/h12-13H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyTZFASWUBIWGGRN-GFCCVEGCSA-N
XLogP1.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(1-methylpiperidin-4-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone 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-[2-(methylamino)ethyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone
CID 168881883
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 79607325
1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidine-3-carboxylic acid
CID 110837419
3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 116654402
2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
CID 103706244
ethyl 4-[(3R)-1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate
CID 25384108
1-(3-methylpiperidin-1-yl)-2-methylsulfanylethanone
CID 42910082
4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid
CID 40543101
2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 131045839
1-[2-(3-methylcyclohexyl)acetyl]piperidine-3-carboxylic acid
CID 119167914
1-(3-aminopiperidin-1-yl)-2-(3-methylcyclopentyl)ethanone
CID 119380103
2-(azetidin-3-yl)-1-(3-methylpyrrolidin-1-yl)ethanone
CID 64611824

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone (CID 95969531) is 2-(1-methylpiperidin-4-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone is C[C@@H]1CCCN(C(=O)CC2CCN(C)CC2)C1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone?
The InChIKey is TZFASWUBIWGGRN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26N2O/c1-12-4-3-7-16(11-12)14(17)10-13-5-8-15(2)9-6-13/h12-13H,3-11H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-(1-methylpiperidin-4-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone?
2-(1-methylpiperidin-4-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone has a molecular weight of 238.37 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 95969531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).