1-piperidin-1-ylethanone

C7H13NO — CID 12058

IUPAC1-piperidin-1-ylethanone
SMILESCC(=O)N1CCCCC1
InChIInChI=1S/C7H13NO/c1-7(9)8-5-3-2-4-6-8/h2-6H2,1H3
InChIKeyKDISMIMTGUMORD-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.02
Rot. Bonds

About 1-piperidin-1-ylethanone

1-piperidin-1-ylethanone (PubChem CID 12058) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-piperidin-1-ylethanone
PubChem CID12058
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-piperidin-1-ylethanone
SMILESCC(=O)N1CCCCC1
InChIInChI=1S/C7H13NO/c1-7(9)8-5-3-2-4-6-8/h2-6H2,1H3
InChIKeyKDISMIMTGUMORD-UHFFFAOYSA-N
XLogP1.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylethanone?
The IUPAC name of 1-piperidin-1-ylethanone (CID 12058) is 1-piperidin-1-ylethanone.
What is the SMILES notation for 1-piperidin-1-ylethanone?
The canonical SMILES for 1-piperidin-1-ylethanone is CC(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-ylethanone?
The InChIKey is KDISMIMTGUMORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-7(9)8-5-3-2-4-6-8/h2-6H2,1H3.
What are the key properties of 1-piperidin-1-ylethanone?
1-piperidin-1-ylethanone has a molecular weight of 127.19 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylethanone is sourced from PubChem (CID 12058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).