3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propanamide

C10H20N2O — CID 92917685

IUPAC3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propanamide
SMILESC[C@@H]1CCC[C@H](C)N1CCC(N)=O
InChIInChI=1S/C10H20N2O/c1-8-4-3-5-9(2)12(8)7-6-10(11)13/h8-9H,3-7H2,1-2H3,(H2,11,13)/t8-,9+
InChIKeyNQLAPIWJYJBOTD-DTORHVGOSA-N
MW184.28 g/mol
LogP1.12
Rot. Bonds3

About 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propanamide

3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propanamide (PubChem CID 92917685) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propanamide.

Molecular Properties

Compound Name3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propanamide
PubChem CID92917685
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propanamide
SMILESC[C@@H]1CCC[C@H](C)N1CCC(N)=O
InChIInChI=1S/C10H20N2O/c1-8-4-3-5-9(2)12(8)7-6-10(11)13/h8-9H,3-7H2,1-2H3,(H2,11,13)/t8-,9+
InChIKeyNQLAPIWJYJBOTD-DTORHVGOSA-N
XLogP1.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(2,6-dimethylpiperidin-1-yl)propanoate
CID 14810577
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentanoic acid
CID 28972400
3-(2-methylpiperidin-1-yl)propanamide
CID 15121454
4-(2,6-dimethylpiperidin-1-yl)butan-1-ol
CID 19867661
2-amino-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpentanamide
CID 104968697
2-amino-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid
CID 104968699
4-(2,6-dimethylpiperidin-1-yl)-N'-hydroxybutanimidamide
CID 24711265
1-amino-2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]cyclopentane-1-carboxamide
CID 104968705
2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanamide
CID 104968607
2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]acetic acid
CID 6994012
2-(2,6-dimethyl(213C)azinan-1-yl)acetic acid
CID 91351477
3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-amine
CID 7176132

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propanamide?
The IUPAC name of 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propanamide (CID 92917685) is 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propanamide.
What is the SMILES notation for 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propanamide?
The canonical SMILES for 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propanamide is C[C@@H]1CCC[C@H](C)N1CCC(N)=O.
What is the InChIKey of 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propanamide?
The InChIKey is NQLAPIWJYJBOTD-DTORHVGOSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8-4-3-5-9(2)12(8)7-6-10(11)13/h8-9H,3-7H2,1-2H3,(H2,11,13)/t8-,9+.
What are the key properties of 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propanamide?
3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propanamide has a molecular weight of 184.28 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propanamide is sourced from PubChem (CID 92917685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).