[3-(dimethylamino)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone

C12H23N3O — CID 104913920

IUPAC[3-(dimethylamino)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
SMILESCN(C)C1CCN(C(=O)[C@@H]2CCCCN2)C1
InChIInChI=1S/C12H23N3O/c1-14(2)10-6-8-15(9-10)12(16)11-5-3-4-7-13-11/h10-11,13H,3-9H2,1-2H3/t10?,11-/m0/s1
InChIKeyGCOVDYBNOHCZCV-DTIOYNMSSA-N
MW225.34 g/mol
LogP0.29
Rot. Bonds2

About [3-(dimethylamino)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone

[3-(dimethylamino)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone (PubChem CID 104913920) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is [3-(dimethylamino)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
PubChem CID104913920
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name[3-(dimethylamino)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
SMILESCN(C)C1CCN(C(=O)[C@@H]2CCCCN2)C1
InChIInChI=1S/C12H23N3O/c1-14(2)10-6-8-15(9-10)12(16)11-5-3-4-7-13-11/h10-11,13H,3-9H2,1-2H3/t10?,11-/m0/s1
InChIKeyGCOVDYBNOHCZCV-DTIOYNMSSA-N
XLogP0.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone?
The IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone (CID 104913920) is [3-(dimethylamino)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone?
The canonical SMILES for [3-(dimethylamino)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone is CN(C)C1CCN(C(=O)[C@@H]2CCCCN2)C1.
What is the InChIKey of [3-(dimethylamino)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone?
The InChIKey is GCOVDYBNOHCZCV-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H23N3O/c1-14(2)10-6-8-15(9-10)12(16)11-5-3-4-7-13-11/h10-11,13H,3-9H2,1-2H3/t10?,11-/m0/s1.
What are the key properties of [3-(dimethylamino)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone?
[3-(dimethylamino)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone has a molecular weight of 225.34 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone is sourced from PubChem (CID 104913920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).