[(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone

C11H20N2O — CID 90192135

IUPAC[(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone
SMILESC[C@H]1CCN(C(=O)C2CCNCC2)C1
InChIInChI=1S/C11H20N2O/c1-9-4-7-13(8-9)11(14)10-2-5-12-6-3-10/h9-10,12H,2-8H2,1H3/t9-/m0/s1
InChIKeyCLXPFXYBWOGFEF-VIFPVBQESA-N
MW196.29 g/mol
LogP0.85
Rot. Bonds1

About [(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone

[(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone (PubChem CID 90192135) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is [(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone
PubChem CID90192135
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name[(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone
SMILESC[C@H]1CCN(C(=O)C2CCNCC2)C1
InChIInChI=1S/C11H20N2O/c1-9-4-7-13(8-9)11(14)10-2-5-12-6-3-10/h9-10,12H,2-8H2,1H3/t9-/m0/s1
InChIKeyCLXPFXYBWOGFEF-VIFPVBQESA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylazepan-1-yl)-piperidin-4-ylmethanone;hydrochloride
CID 119307759
[(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 120625537
1-(piperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63030374
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 129394437
(4-methylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 75419424
piperidin-4-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119344916
piperidin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103797757
(4-methylcyclohexyl)-piperazin-1-ylmethanone
CID 22229215
cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81427815
(4-methylpiperidin-1-yl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone
CID 119930695
ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone
CID 176554643
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-piperidin-4-ylmethanone
CID 129371132

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone?
The IUPAC name of [(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone (CID 90192135) is [(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone.
What is the SMILES notation for [(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone?
The canonical SMILES for [(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone is C[C@H]1CCN(C(=O)C2CCNCC2)C1.
What is the InChIKey of [(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone?
The InChIKey is CLXPFXYBWOGFEF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O/c1-9-4-7-13(8-9)11(14)10-2-5-12-6-3-10/h9-10,12H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of [(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone?
[(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone has a molecular weight of 196.29 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone is sourced from PubChem (CID 90192135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).