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

C12H23N3O — CID 91223797

IUPAC[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-piperidin-1-ylmethanone
SMILESCN(C)[C@H]1CCN(C(=O)N2CCCCC2)C1
InChIInChI=1S/C12H23N3O/c1-13(2)11-6-9-15(10-11)12(16)14-7-4-3-5-8-14/h11H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyJXQBARRDGKERFS-NSHDSACASA-N
MW225.34 g/mol
LogP1.23
Rot. Bonds1

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

[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-piperidin-1-ylmethanone (PubChem CID 91223797) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-piperidin-1-ylmethanone
PubChem CID91223797
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-piperidin-1-ylmethanone
SMILESCN(C)[C@H]1CCN(C(=O)N2CCCCC2)C1
InChIInChI=1S/C12H23N3O/c1-13(2)11-6-9-15(10-11)12(16)14-7-4-3-5-8-14/h11H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyJXQBARRDGKERFS-NSHDSACASA-N
XLogP1.23
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-piperidin-1-ylmethanone (CID 91223797) is [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-piperidin-1-ylmethanone is CN(C)[C@H]1CCN(C(=O)N2CCCCC2)C1.
What is the InChIKey of [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-piperidin-1-ylmethanone?
The InChIKey is JXQBARRDGKERFS-NSHDSACASA-N. The full InChI is InChI=1S/C12H23N3O/c1-13(2)11-6-9-15(10-11)12(16)14-7-4-3-5-8-14/h11H,3-10H2,1-2H3/t11-/m0/s1.
What are the key properties of [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-piperidin-1-ylmethanone?
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-piperidin-1-ylmethanone has a molecular weight of 225.34 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 91223797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).