[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone

C17H31N3O — CID 125120891

IUPAC[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone
SMILESC[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)[C@@H]2CCNC2)C1
InChIInChI=1S/C17H31N3O/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/t14-,15-,16-/m1/s1
InChIKeyTZLRTSGBDOAQIH-BZUAXINKSA-N
MW293.45 g/mol
LogP1.71
Rot. Bonds3

About [(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone

[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone (PubChem CID 125120891) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is [(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone
PubChem CID125120891
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone
SMILESC[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)[C@@H]2CCNC2)C1
InChIInChI=1S/C17H31N3O/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/t14-,15-,16-/m1/s1
InChIKeyTZLRTSGBDOAQIH-BZUAXINKSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone with MolForge

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Related Compounds

[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119867686
(3-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone;dihydrochloride
CID 119867638
2-[1-(pyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid
CID 63005504
pyrrolidin-3-yl-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 119892585
[(3R)-3-aminopiperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 131163040
2-methyl-1-(pyrrolidin-3-ylmethyl)piperidine;dihydrochloride
CID 56831717
(1-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 119867647
[(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 107222844
piperidin-3-yl-(3-propylpiperidin-1-yl)methanone;hydrochloride
CID 119337253
[(3S)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 125135280
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
[(3S)-3-fluoropiperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 129494555

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone?
The IUPAC name of [(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone (CID 125120891) is [(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone.
What is the SMILES notation for [(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone?
The canonical SMILES for [(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone is C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)[C@@H]2CCNC2)C1.
What is the InChIKey of [(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone?
The InChIKey is TZLRTSGBDOAQIH-BZUAXINKSA-N. The full InChI is InChI=1S/C17H31N3O/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/t14-,15-,16-/m1/s1.
What are the key properties of [(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone?
[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone has a molecular weight of 293.45 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone is sourced from PubChem (CID 125120891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).