3-(ethylamino)-1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one

C15H28N2O2 — CID 65122174

IUPAC3-(ethylamino)-1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one
SMILESCCNC1CCCN(CC2(O)CCCCCC2)C1=O
InChIInChI=1S/C15H28N2O2/c1-2-16-13-8-7-11-17(14(13)18)12-15(19)9-5-3-4-6-10-15/h13,16,19H,2-12H2,1H3
InChIKeyWOPJOVYBQCBMIM-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.67
Rot. Bonds4

About 3-(ethylamino)-1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one

3-(ethylamino)-1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one (PubChem CID 65122174) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-(ethylamino)-1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one
PubChem CID65122174
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-(ethylamino)-1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one
SMILESCCNC1CCCN(CC2(O)CCCCCC2)C1=O
InChIInChI=1S/C15H28N2O2/c1-2-16-13-8-7-11-17(14(13)18)12-15(19)9-5-3-4-6-10-15/h13,16,19H,2-12H2,1H3
InChIKeyWOPJOVYBQCBMIM-UHFFFAOYSA-N
XLogP1.67
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one?
The IUPAC name of 3-(ethylamino)-1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one (CID 65122174) is 3-(ethylamino)-1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one.
What is the SMILES notation for 3-(ethylamino)-1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one?
The canonical SMILES for 3-(ethylamino)-1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one is CCNC1CCCN(CC2(O)CCCCCC2)C1=O.
What is the InChIKey of 3-(ethylamino)-1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one?
The InChIKey is WOPJOVYBQCBMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-16-13-8-7-11-17(14(13)18)12-15(19)9-5-3-4-6-10-15/h13,16,19H,2-12H2,1H3.
What are the key properties of 3-(ethylamino)-1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one?
3-(ethylamino)-1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one has a molecular weight of 268.40 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one is sourced from PubChem (CID 65122174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).