2-[(2S)-piperidin-1-ium-2-yl]acetamide

C7H15N2O+ — CID 7298460

IUPAC2-[(2S)-piperidin-1-ium-2-yl]acetamide
SMILESNC(=O)C[C@@H]1CCCC[NH2+]1
InChIInChI=1S/C7H14N2O/c8-7(10)5-6-3-1-2-4-9-6/h6,9H,1-5H2,(H2,8,10)/p+1/t6-/m0/s1
InChIKeyRNGRYWXHDOJTFX-LURJTMIESA-O
MW143.21 g/mol
LogP-1.02
Rot. Bonds2

About 2-[(2S)-piperidin-1-ium-2-yl]acetamide

2-[(2S)-piperidin-1-ium-2-yl]acetamide (PubChem CID 7298460) has the molecular formula C7H15N2O+ and a molecular weight of 143.21 g/mol. Its IUPAC name is 2-[(2S)-piperidin-1-ium-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-piperidin-1-ium-2-yl]acetamide
PubChem CID7298460
Molecular FormulaC7H15N2O+
Molecular Weight143.21 g/mol
Exact Mass143.12
IUPAC Name2-[(2S)-piperidin-1-ium-2-yl]acetamide
SMILESNC(=O)C[C@@H]1CCCC[NH2+]1
InChIInChI=1S/C7H14N2O/c8-7(10)5-6-3-1-2-4-9-6/h6,9H,1-5H2,(H2,8,10)/p+1/t6-/m0/s1
InChIKeyRNGRYWXHDOJTFX-LURJTMIESA-O
XLogP-1.02
TPSA59.70 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-piperidin-1-ium-2-yl]acetamide?
The IUPAC name of 2-[(2S)-piperidin-1-ium-2-yl]acetamide (CID 7298460) is 2-[(2S)-piperidin-1-ium-2-yl]acetamide.
What is the SMILES notation for 2-[(2S)-piperidin-1-ium-2-yl]acetamide?
The canonical SMILES for 2-[(2S)-piperidin-1-ium-2-yl]acetamide is NC(=O)C[C@@H]1CCCC[NH2+]1.
What is the InChIKey of 2-[(2S)-piperidin-1-ium-2-yl]acetamide?
The InChIKey is RNGRYWXHDOJTFX-LURJTMIESA-O. The full InChI is InChI=1S/C7H14N2O/c8-7(10)5-6-3-1-2-4-9-6/h6,9H,1-5H2,(H2,8,10)/p+1/t6-/m0/s1.
What are the key properties of 2-[(2S)-piperidin-1-ium-2-yl]acetamide?
2-[(2S)-piperidin-1-ium-2-yl]acetamide has a molecular weight of 143.21 g/mol, XLogP of -1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-piperidin-1-ium-2-yl]acetamide is sourced from PubChem (CID 7298460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).