(2S)-2-[4-(2-methylpropoxy)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one

C17H32N2O2 — CID 94651845

IUPAC(2S)-2-[4-(2-methylpropoxy)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESCC(C)COC1CCN([C@@H](C)C(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H32N2O2/c1-14(2)13-21-16-7-11-18(12-8-16)15(3)17(20)19-9-5-4-6-10-19/h14-16H,4-13H2,1-3H3/t15-/m0/s1
InChIKeyOFLJBQPBGOLUOJ-HNNXBMFYSA-N
MW296.45 g/mol
LogP2.52
Rot. Bonds5

About (2S)-2-[4-(2-methylpropoxy)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one

(2S)-2-[4-(2-methylpropoxy)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one (PubChem CID 94651845) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is (2S)-2-[4-(2-methylpropoxy)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-[4-(2-methylpropoxy)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
PubChem CID94651845
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name(2S)-2-[4-(2-methylpropoxy)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESCC(C)COC1CCN([C@@H](C)C(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H32N2O2/c1-14(2)13-21-16-7-11-18(12-8-16)15(3)17(20)19-9-5-4-6-10-19/h14-16H,4-13H2,1-3H3/t15-/m0/s1
InChIKeyOFLJBQPBGOLUOJ-HNNXBMFYSA-N
XLogP2.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-aminopropoxy)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 79735407
1-(azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 60676901
2-[4-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 60769000
1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 134058372
(2R)-2-(4-piperidin-1-ylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 1439732
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 63847543
2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 134058373
methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxylate
CID 60638892
N,N-dimethyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidine-4-carboxamide
CID 78788245
1-(azepan-1-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 78963692
2-methyl-1-[4-(2-methylpropoxy)piperidin-1-yl]propan-1-ol
CID 170065086
1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 60677400

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-methylpropoxy)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of (2S)-2-[4-(2-methylpropoxy)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one (CID 94651845) is (2S)-2-[4-(2-methylpropoxy)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-2-[4-(2-methylpropoxy)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2S)-2-[4-(2-methylpropoxy)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one is CC(C)COC1CCN([C@@H](C)C(=O)N2CCCCC2)CC1.
What is the InChIKey of (2S)-2-[4-(2-methylpropoxy)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is OFLJBQPBGOLUOJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-14(2)13-21-16-7-11-18(12-8-16)15(3)17(20)19-9-5-4-6-10-19/h14-16H,4-13H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-2-[4-(2-methylpropoxy)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one?
(2S)-2-[4-(2-methylpropoxy)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 296.45 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-methylpropoxy)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 94651845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).