[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone

C17H31N3O — CID 122081454

IUPAC[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
SMILESCC1CCN(CC2CCCN(C(=O)[C@@H]3CCCN3)C2)CC1
InChIInChI=1S/C17H31N3O/c1-14-6-10-19(11-7-14)12-15-4-3-9-20(13-15)17(21)16-5-2-8-18-16/h14-16,18H,2-13H2,1H3/t15?,16-/m0/s1
InChIKeyGRPQABQNIZRSFA-LYKKTTPLSA-N
MW293.46 g/mol
LogP1.71
Rot. Bonds3

About [3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone

[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone (PubChem CID 122081454) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is [3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
PubChem CID122081454
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
SMILESCC1CCN(CC2CCCN(C(=O)[C@@H]3CCCN3)C2)CC1
InChIInChI=1S/C17H31N3O/c1-14-6-10-19(11-7-14)12-15-4-3-9-20(13-15)17(21)16-5-2-8-18-16/h14-16,18H,2-13H2,1H3/t15?,16-/m0/s1
InChIKeyGRPQABQNIZRSFA-LYKKTTPLSA-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 ≤ 500293.46
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 56831888
(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
[3-(2-methylpropyl)piperidin-1-yl]-piperidin-2-ylmethanone
CID 119337354
[3-(hydroxymethyl)piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 104912769
azetidin-2-yl-(3-methylpiperidin-1-yl)methanone
CID 127007558
[3-(azepan-1-ylmethyl)piperidin-1-yl]-morpholin-3-ylmethanone
CID 119875712
(4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 2794697
[(2R)-azetidin-2-yl]-(4-methylazepan-1-yl)methanone;hydrochloride
CID 130670248
[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119867516
[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 129494191
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
(3-benzylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119320187

Frequently Asked Questions

What is the IUPAC name of [3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The IUPAC name of [3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone (CID 122081454) is [3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for [3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The canonical SMILES for [3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone is CC1CCN(CC2CCCN(C(=O)[C@@H]3CCCN3)C2)CC1.
What is the InChIKey of [3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The InChIKey is GRPQABQNIZRSFA-LYKKTTPLSA-N. The full InChI is InChI=1S/C17H31N3O/c1-14-6-10-19(11-7-14)12-15-4-3-9-20(13-15)17(21)16-5-2-8-18-16/h14-16,18H,2-13H2,1H3/t15?,16-/m0/s1.
What are the key properties of [3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone has a molecular weight of 293.46 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 [3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 122081454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).