[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride

C17H33Cl2N3O — CID 119867686

IUPAC[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
SMILESCC1CCCCN1CC1CCCN(C(=O)C2CCNC2)C1.Cl.Cl
InChIInChI=1S/C17H31N3O.2ClH/c1-14-5-2-3-9-19(14)12-15-6-4-10-20(13-15)17(21)16-7-8-18-11-16;;/h14-16,18H,2-13H2,1H3;2*1H
InChIKeyOMPSWPXQXWWUNR-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.55
Rot. Bonds3

About [3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride

[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride (PubChem CID 119867686) has the molecular formula C17H33Cl2N3O and a molecular weight of 366.38 g/mol. Its IUPAC name is [3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
PubChem CID119867686
Molecular FormulaC17H33Cl2N3O
Molecular Weight366.38 g/mol
Exact Mass365.20
IUPAC Name[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
SMILESCC1CCCCN1CC1CCCN(C(=O)C2CCNC2)C1.Cl.Cl
InChIInChI=1S/C17H31N3O.2ClH/c1-14-5-2-3-9-19(14)12-15-6-4-10-20(13-15)17(21)16-7-8-18-11-16;;/h14-16,18H,2-13H2,1H3;2*1H
InChIKeyOMPSWPXQXWWUNR-UHFFFAOYSA-N
XLogP2.55
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 125120891
(3-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone;dihydrochloride
CID 119867638
[(3R)-3-aminopiperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 131163040
2-[1-(pyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid
CID 63005504
2-methyl-1-(pyrrolidin-3-ylmethyl)piperidine;dihydrochloride
CID 56831717
pyrrolidin-3-yl-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 119892585
piperidin-3-yl-(3-propylpiperidin-1-yl)methanone;hydrochloride
CID 119337253
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
(1-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 119867647
[(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 107222844
[(3S)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 125135280
4-[(2-methylpyrrolidin-1-yl)methyl]piperidine;dihydrochloride
CID 57445880

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride?
The IUPAC name of [3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride (CID 119867686) is [3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride.
What is the SMILES notation for [3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride?
The canonical SMILES for [3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride is CC1CCCCN1CC1CCCN(C(=O)C2CCNC2)C1.Cl.Cl.
What is the InChIKey of [3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride?
The InChIKey is OMPSWPXQXWWUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O.2ClH/c1-14-5-2-3-9-19(14)12-15-6-4-10-20(13-15)17(21)16-7-8-18-11-16;;/h14-16,18H,2-13H2,1H3;2*1H.
What are the key properties of [3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride?
[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride has a molecular weight of 366.38 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride is sourced from PubChem (CID 119867686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).