1,2-bis(3,5-dimethylpiperidin-1-yl)propan-1-one

C17H32N2O — CID 134062663

IUPAC1,2-bis(3,5-dimethylpiperidin-1-yl)propan-1-one
SMILESCC1CC(C)CN(C(=O)C(C)N2CC(C)CC(C)C2)C1
InChIInChI=1S/C17H32N2O/c1-12-6-13(2)9-18(8-12)16(5)17(20)19-10-14(3)7-15(4)11-19/h12-16H,6-11H2,1-5H3
InChIKeyNUBBGPVJEZCZPE-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.86
Rot. Bonds2

About 1,2-bis(3,5-dimethylpiperidin-1-yl)propan-1-one

1,2-bis(3,5-dimethylpiperidin-1-yl)propan-1-one (PubChem CID 134062663) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1,2-bis(3,5-dimethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1,2-bis(3,5-dimethylpiperidin-1-yl)propan-1-one
PubChem CID134062663
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1,2-bis(3,5-dimethylpiperidin-1-yl)propan-1-one
SMILESCC1CC(C)CN(C(=O)C(C)N2CC(C)CC(C)C2)C1
InChIInChI=1S/C17H32N2O/c1-12-6-13(2)9-18(8-12)16(5)17(20)19-10-14(3)7-15(4)11-19/h12-16H,6-11H2,1-5H3
InChIKeyNUBBGPVJEZCZPE-UHFFFAOYSA-N
XLogP2.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2-bis(3,5-dimethylpiperidin-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-(3,5-dimethylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 43130716
1-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907170
1-(3,5-dimethylpiperidin-1-yl)-2-(2-methylmorpholin-4-yl)propan-1-one
CID 134055253
1-[(2R)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 8530576
2-(3,5-dimethylpiperidin-1-yl)propanoic acid
CID 20985542
1-(3,5-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119918311
(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 39257636
(2R)-2-chloro-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-1-one
CID 8000847
(2R)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 99994089
1-(3,5-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119918310
1-(3,5-dimethylpiperidin-1-yl)-2,2-difluoroethanone
CID 103600565
(2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 8542107

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3,5-dimethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1,2-bis(3,5-dimethylpiperidin-1-yl)propan-1-one (CID 134062663) is 1,2-bis(3,5-dimethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1,2-bis(3,5-dimethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1,2-bis(3,5-dimethylpiperidin-1-yl)propan-1-one is CC1CC(C)CN(C(=O)C(C)N2CC(C)CC(C)C2)C1.
What is the InChIKey of 1,2-bis(3,5-dimethylpiperidin-1-yl)propan-1-one?
The InChIKey is NUBBGPVJEZCZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-12-6-13(2)9-18(8-12)16(5)17(20)19-10-14(3)7-15(4)11-19/h12-16H,6-11H2,1-5H3.
What are the key properties of 1,2-bis(3,5-dimethylpiperidin-1-yl)propan-1-one?
1,2-bis(3,5-dimethylpiperidin-1-yl)propan-1-one has a molecular weight of 280.46 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3,5-dimethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 134062663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).