(1-methylpyrrolidin-3-yl)-piperidin-3-ylmethanone

C11H20N2O — CID 116916955

IUPAC(1-methylpyrrolidin-3-yl)-piperidin-3-ylmethanone
SMILESCN1CCC(C(=O)C2CCCNC2)C1
InChIInChI=1S/C11H20N2O/c1-13-6-4-10(8-13)11(14)9-3-2-5-12-7-9/h9-10,12H,2-8H2,1H3
InChIKeyLPMGXAIEIKOWPC-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.51
Rot. Bonds2

About (1-methylpyrrolidin-3-yl)-piperidin-3-ylmethanone

(1-methylpyrrolidin-3-yl)-piperidin-3-ylmethanone (PubChem CID 116916955) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (1-methylpyrrolidin-3-yl)-piperidin-3-ylmethanone.

Molecular Properties

Compound Name(1-methylpyrrolidin-3-yl)-piperidin-3-ylmethanone
PubChem CID116916955
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(1-methylpyrrolidin-3-yl)-piperidin-3-ylmethanone
SMILESCN1CCC(C(=O)C2CCCNC2)C1
InChIInChI=1S/C11H20N2O/c1-13-6-4-10(8-13)11(14)9-3-2-5-12-7-9/h9-10,12H,2-8H2,1H3
InChIKeyLPMGXAIEIKOWPC-UHFFFAOYSA-N
XLogP0.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

di(piperidin-3-yl)methanone
CID 69183047
cyclobutyl-[(3R)-piperidin-3-yl]methanone
CID 124604189
(3-methylcyclohexyl)-(1-methylpyrrolidin-3-yl)methanone
CID 164649085
1-methyl-N-(1-piperidin-3-ylethyl)pyrrolidine-3-carboxamide
CID 62034340
1-methyl-1,4-diazepane-6-carboxylic acid
CID 23090475
cycloheptyl-(1-methylpiperidin-4-yl)methanone
CID 144802313
N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 54874074
methyl (3S)-piperidine-3-carboxylate;hydrochloride
CID 57345867
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
3-(1-methylpyrrolidin-3-yl)piperidine
CID 82413007
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-piperidin-3-ylmethanone;hydrochloride
CID 154911024

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolidin-3-yl)-piperidin-3-ylmethanone?
The IUPAC name of (1-methylpyrrolidin-3-yl)-piperidin-3-ylmethanone (CID 116916955) is (1-methylpyrrolidin-3-yl)-piperidin-3-ylmethanone.
What is the SMILES notation for (1-methylpyrrolidin-3-yl)-piperidin-3-ylmethanone?
The canonical SMILES for (1-methylpyrrolidin-3-yl)-piperidin-3-ylmethanone is CN1CCC(C(=O)C2CCCNC2)C1.
What is the InChIKey of (1-methylpyrrolidin-3-yl)-piperidin-3-ylmethanone?
The InChIKey is LPMGXAIEIKOWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-13-6-4-10(8-13)11(14)9-3-2-5-12-7-9/h9-10,12H,2-8H2,1H3.
What are the key properties of (1-methylpyrrolidin-3-yl)-piperidin-3-ylmethanone?
(1-methylpyrrolidin-3-yl)-piperidin-3-ylmethanone has a molecular weight of 196.29 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolidin-3-yl)-piperidin-3-ylmethanone is sourced from PubChem (CID 116916955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).