(2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone

C12H22N2O — CID 81123466

IUPAC(2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone
SMILESCC1CCCCN1C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C12H22N2O/c1-10-5-2-3-8-14(10)12(15)11-6-4-7-13-9-11/h10-11,13H,2-9H2,1H3/t10?,11-/m1/s1
InChIKeyVMMVKFDXSFIKOX-RRKGBCIJSA-N
MW210.32 g/mol
LogP1.39
Rot. Bonds1

About (2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone

(2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone (PubChem CID 81123466) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone.

Molecular Properties

Compound Name(2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone
PubChem CID81123466
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone
SMILESCC1CCCCN1C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C12H22N2O/c1-10-5-2-3-8-14(10)12(15)11-6-4-7-13-9-11/h10-11,13H,2-9H2,1H3/t10?,11-/m1/s1
InChIKeyVMMVKFDXSFIKOX-RRKGBCIJSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-2-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 59401908
(2,4-dimethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81139161
(2,6-dimethylpiperidin-1-yl)-piperidin-3-ylmethanone
CID 18072139
(2R)-1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylic acid
CID 81134943
[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 129371138
(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-piperidin-3-ylmethanone
CID 79935190
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-piperidin-3-ylmethanone
CID 102726290
(2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129016
[(2S)-2-(methoxymethyl)piperidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 129359511
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[(3S)-piperidin-3-yl]methanone
CID 81134574
3-methyl-4-[(3S)-piperidine-3-carbonyl]piperazin-2-one
CID 81139872
ethyl 1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylate
CID 81128745

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone?
The IUPAC name of (2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone (CID 81123466) is (2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone.
What is the SMILES notation for (2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone?
The canonical SMILES for (2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone is CC1CCCCN1C(=O)[C@@H]1CCCNC1.
What is the InChIKey of (2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone?
The InChIKey is VMMVKFDXSFIKOX-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10-5-2-3-8-14(10)12(15)11-6-4-7-13-9-11/h10-11,13H,2-9H2,1H3/t10?,11-/m1/s1.
What are the key properties of (2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone?
(2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone has a molecular weight of 210.32 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone is sourced from PubChem (CID 81123466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).