ethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one

C18H38N2O — CID 156836866

IUPACethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one
SMILESCC.CC.CCC(=O)N1CCC(C2CCN(C)CC2)CC1
InChIInChI=1S/C14H26N2O.2C2H6/c1-3-14(17)16-10-6-13(7-11-16)12-4-8-15(2)9-5-12;2*1-2/h12-13H,3-11H2,1-2H3;2*1-2H3
InChIKeyHTPJCKFKOHTTAA-UHFFFAOYSA-N
MW298.51 g/mol
LogP4.03
Rot. Bonds2

About ethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one

ethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one (PubChem CID 156836866) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is ethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Nameethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one
PubChem CID156836866
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Nameethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one
SMILESCC.CC.CCC(=O)N1CCC(C2CCN(C)CC2)CC1
InChIInChI=1S/C14H26N2O.2C2H6/c1-3-14(17)16-10-6-13(7-11-16)12-4-8-15(2)9-5-12;2*1-2/h12-13H,3-11H2,1-2H3;2*1-2H3
InChIKeyHTPJCKFKOHTTAA-UHFFFAOYSA-N
XLogP4.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-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-[4-(1-Methylpiperidin-4-yl)piperidin-1-yl]pentadecan-1-one;hydrochloride
CID 11546730
1-{4-[3-(1-Acetyl-piperidin-4-YL)-propyl]-piperidin-1-YL}-ethanone
CID 20752246
1-[4-(1-Methylpiperidin-4-yl)piperidin-1-yl]heptadecan-1-one;hydrochloride
CID 11648484
1-[4-(1-Methylpiperidin-4-yl)piperidin-1-yl]tridecan-1-one;hydrochloride
CID 11704360
Cambridge id 6578494
CID 883902
[1-(Cyclohexylmethyl)piperidin-4-yl](3-methylpiperidin-1-yl)methanone
CID 3148936
[1-(Cyclohexylmethyl)piperidin-4-yl](4-methylpiperidin-1-yl)methanone
CID 3148941
1-[4-[1-(3-Methylbutyl)pyrrolidin-3-yl]piperidin-1-yl]propan-1-one
CID 91916525
1,6-Bis(4-methylpiperidin-1-yl)hexane-1,6-dione
CID 4990135
3-Oxo-3-(4-propan-2-ylpiperidin-1-yl)propanenitrile;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
CID 167456778
1-[4-Fluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 172114649
1-[3,3-Difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 176739850

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of ethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one (CID 156836866) is ethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for ethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for ethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one is CC.CC.CCC(=O)N1CCC(C2CCN(C)CC2)CC1.
What is the InChIKey of ethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one?
The InChIKey is HTPJCKFKOHTTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.2C2H6/c1-3-14(17)16-10-6-13(7-11-16)12-4-8-15(2)9-5-12;2*1-2/h12-13H,3-11H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one?
ethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one has a molecular weight of 298.51 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 156836866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).