cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone

C13H24N2O — CID 94475779

IUPACcyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
SMILESCN[C@H]1CCCN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C13H24N2O/c1-14-12-8-5-9-15(10-12)13(16)11-6-3-2-4-7-11/h11-12,14H,2-10H2,1H3/t12-/m0/s1
InChIKeyOMYRTKNSPLDLPZ-LBPRGKRZSA-N
MW224.35 g/mol
LogP1.78
Rot. Bonds2

About cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone

cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone (PubChem CID 94475779) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
PubChem CID94475779
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Namecyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
SMILESCN[C@H]1CCCN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C13H24N2O/c1-14-12-8-5-9-15(10-12)13(16)11-6-3-2-4-7-11/h11-12,14H,2-10H2,1H3/t12-/m0/s1
InChIKeyOMYRTKNSPLDLPZ-LBPRGKRZSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493060
cyclopropyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475773
[3-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
CID 119491186
[3-(methylamino)piperidin-1-yl]-(oxan-4-yl)methanone;hydrochloride
CID 119487408
(4-tert-butylcyclohexyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62718074
1-[3-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 119492016
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
(1-ethylsulfonylpiperidin-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490378
cyclopentyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60820118
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 65023448
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone (CID 94475779) is cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone is CN[C@H]1CCCN(C(=O)C2CCCCC2)C1.
What is the InChIKey of cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is OMYRTKNSPLDLPZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24N2O/c1-14-12-8-5-9-15(10-12)13(16)11-6-3-2-4-7-11/h11-12,14H,2-10H2,1H3/t12-/m0/s1.
What are the key properties of cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone?
cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 224.35 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 94475779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).