(3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride

C11H21ClN2O — CID 56831888

IUPAC(3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
SMILESCC1CCCN(C(=O)C2CCCN2)C1.Cl
InChIInChI=1S/C11H20N2O.ClH/c1-9-4-3-7-13(8-9)11(14)10-5-2-6-12-10;/h9-10,12H,2-8H2,1H3;1H
InChIKeyPOWJXUBXAIGISH-UHFFFAOYSA-N
MW232.75 g/mol
LogP1.42
Rot. Bonds1

About (3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride

(3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride (PubChem CID 56831888) has the molecular formula C11H21ClN2O and a molecular weight of 232.75 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
PubChem CID56831888
Molecular FormulaC11H21ClN2O
Molecular Weight232.75 g/mol
Exact Mass232.13
IUPAC Name(3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
SMILESCC1CCCN(C(=O)C2CCCN2)C1.Cl
InChIInChI=1S/C11H20N2O.ClH/c1-9-4-3-7-13(8-9)11(14)10-5-2-6-12-10;/h9-10,12H,2-8H2,1H3;1H
InChIKeyPOWJXUBXAIGISH-UHFFFAOYSA-N
XLogP1.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azetidin-2-yl-(3-methylpiperidin-1-yl)methanone
CID 127007558
(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
(3-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone
CID 114422546
[(2R)-azetidin-2-yl]-(4-methylazepan-1-yl)methanone;hydrochloride
CID 130670248
N-propan-2-yl-1-[(2R)-pyrrolidine-2-carbonyl]piperidine-3-carboxamide
CID 53015059
(3-methylpiperidin-1-yl)-piperazin-2-ylmethanone
CID 63102910
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 122081454
(3S)-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 81125629
(4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 2794697
1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 119112195
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
The IUPAC name of (3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride (CID 56831888) is (3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride.
What is the SMILES notation for (3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
The canonical SMILES for (3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride is CC1CCCN(C(=O)C2CCCN2)C1.Cl.
What is the InChIKey of (3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
The InChIKey is POWJXUBXAIGISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O.ClH/c1-9-4-3-7-13(8-9)11(14)10-5-2-6-12-10;/h9-10,12H,2-8H2,1H3;1H.
What are the key properties of (3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
(3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride has a molecular weight of 232.75 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 56831888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).