(2,4-dimethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone

C13H24N2O — CID 81139161

IUPAC(2,4-dimethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
SMILESCC1CCN(C(=O)[C@H]2CCCNC2)C(C)C1
InChIInChI=1S/C13H24N2O/c1-10-5-7-15(11(2)8-10)13(16)12-4-3-6-14-9-12/h10-12,14H,3-9H2,1-2H3/t10?,11?,12-/m0/s1
InChIKeyAFZSSMFGYRLTIY-MCIGGMRASA-N
MW224.35 g/mol
LogP1.63
Rot. Bonds1

About (2,4-dimethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone

(2,4-dimethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone (PubChem CID 81139161) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (2,4-dimethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
PubChem CID81139161
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(2,4-dimethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
SMILESCC1CCN(C(=O)[C@H]2CCCNC2)C(C)C1
InChIInChI=1S/C13H24N2O/c1-10-5-7-15(11(2)8-10)13(16)12-4-3-6-14-9-12/h10-12,14H,3-9H2,1-2H3/t10?,11?,12-/m0/s1
InChIKeyAFZSSMFGYRLTIY-MCIGGMRASA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123466
(2,4-dimethylpiperidin-1-yl)-piperazin-2-ylmethanone
CID 63103466
(2,4-dimethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 62331219
[(2S)-2-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 59401908
(2,6-dimethylpiperidin-1-yl)-piperidin-3-ylmethanone
CID 18072139
(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-piperidin-3-ylmethanone
CID 79935190
(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
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
(2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129016
(2-methyl-3-phenylpyrrolidin-1-yl)-piperidin-3-ylmethanone
CID 119337130

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone?
The IUPAC name of (2,4-dimethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone (CID 81139161) is (2,4-dimethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone.
What is the SMILES notation for (2,4-dimethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone?
The canonical SMILES for (2,4-dimethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone is CC1CCN(C(=O)[C@H]2CCCNC2)C(C)C1.
What is the InChIKey of (2,4-dimethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone?
The InChIKey is AFZSSMFGYRLTIY-MCIGGMRASA-N. The full InChI is InChI=1S/C13H24N2O/c1-10-5-7-15(11(2)8-10)13(16)12-4-3-6-14-9-12/h10-12,14H,3-9H2,1-2H3/t10?,11?,12-/m0/s1.
What are the key properties of (2,4-dimethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone?
(2,4-dimethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone has a molecular weight of 224.35 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone is sourced from PubChem (CID 81139161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).