2-[(3S)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide

C9H18N2O2 — CID 107225809

IUPAC2-[(3S)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC[C@H](O)C1
InChIInChI=1S/C9H18N2O2/c1-10(2)9(13)7-11-5-3-4-8(12)6-11/h8,12H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyCFBQHKKCGZAHNE-QMMMGPOBSA-N
MW186.25 g/mol
LogP-0.47
Rot. Bonds2

About 2-[(3S)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide

2-[(3S)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 107225809) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[(3S)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3S)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide
PubChem CID107225809
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-[(3S)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC[C@H](O)C1
InChIInChI=1S/C9H18N2O2/c1-10(2)9(13)7-11-5-3-4-8(12)6-11/h8,12H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyCFBQHKKCGZAHNE-QMMMGPOBSA-N
XLogP-0.47
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-1-yl)-N,N-dimethylacetamide
CID 69256971
N,N-dicyclohexyl-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 94191195
2-(3-hydroxypiperidin-1-yl)-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 110897524
2-(4-aminoazepan-1-yl)-N,N-dimethylacetamide
CID 127011721
2-(3-hydroxypiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 60645203
N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 78963664
3-[(3R)-3-hydroxypyrrolidin-1-yl]-N,N-dimethylpropanamide
CID 78963432
1-(azocan-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107226024
1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 129367078
tert-butyl 2-(3-hydroxypiperidin-1-yl)acetate
CID 60689789
N-(2-cyanoethyl)-N-ethyl-2-(3-hydroxypiperidin-1-yl)acetamide
CID 110897527
N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
CID 60642561

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3S)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide (CID 107225809) is 2-[(3S)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3S)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3S)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCC[C@H](O)C1.
What is the InChIKey of 2-[(3S)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is CFBQHKKCGZAHNE-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-10(2)9(13)7-11-5-3-4-8(12)6-11/h8,12H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of 2-[(3S)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide?
2-[(3S)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 186.25 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 107225809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).