2-(azetidin-3-yl)-1-(4-tert-butylpiperidin-1-yl)ethanone

C14H26N2O — CID 64611021

IUPAC2-(azetidin-3-yl)-1-(4-tert-butylpiperidin-1-yl)ethanone
SMILESCC(C)(C)C1CCN(C(=O)CC2CNC2)CC1
InChIInChI=1S/C14H26N2O/c1-14(2,3)12-4-6-16(7-5-12)13(17)8-11-9-15-10-11/h11-12,15H,4-10H2,1-3H3
InChIKeyPCDJFRSDLAJKFL-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.88
Rot. Bonds2

About 2-(azetidin-3-yl)-1-(4-tert-butylpiperidin-1-yl)ethanone

2-(azetidin-3-yl)-1-(4-tert-butylpiperidin-1-yl)ethanone (PubChem CID 64611021) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(4-tert-butylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(4-tert-butylpiperidin-1-yl)ethanone
PubChem CID64611021
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-(azetidin-3-yl)-1-(4-tert-butylpiperidin-1-yl)ethanone
SMILESCC(C)(C)C1CCN(C(=O)CC2CNC2)CC1
InChIInChI=1S/C14H26N2O/c1-14(2,3)12-4-6-16(7-5-12)13(17)8-11-9-15-10-11/h11-12,15H,4-10H2,1-3H3
InChIKeyPCDJFRSDLAJKFL-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylpiperidin-1-yl)-2-piperidin-4-ylethanone;hydrochloride
CID 119762687
2-(azetidin-3-yl)-1-(3-methylpyrrolidin-1-yl)ethanone
CID 64611824
methyl 1-[2-(azetidin-3-yl)acetyl]piperidine-4-carboxylate
CID 64617361
1-[2-(azetidin-3-yl)acetyl]-N-methylpiperidine-4-carboxamide
CID 64617367
2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)ethanone
CID 115740816
1-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)ethanone
CID 62084699
N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]ethanesulfonamide
CID 64610162
1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
CID 70657702
3-amino-1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
CID 64678846
1-(4-tert-butylpiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119762682
N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]-2-methoxyacetamide
CID 64611592
2-(azetidin-3-yl)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone
CID 64611799

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(4-tert-butylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(azetidin-3-yl)-1-(4-tert-butylpiperidin-1-yl)ethanone (CID 64611021) is 2-(azetidin-3-yl)-1-(4-tert-butylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(4-tert-butylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(azetidin-3-yl)-1-(4-tert-butylpiperidin-1-yl)ethanone is CC(C)(C)C1CCN(C(=O)CC2CNC2)CC1.
What is the InChIKey of 2-(azetidin-3-yl)-1-(4-tert-butylpiperidin-1-yl)ethanone?
The InChIKey is PCDJFRSDLAJKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-14(2,3)12-4-6-16(7-5-12)13(17)8-11-9-15-10-11/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 2-(azetidin-3-yl)-1-(4-tert-butylpiperidin-1-yl)ethanone?
2-(azetidin-3-yl)-1-(4-tert-butylpiperidin-1-yl)ethanone has a molecular weight of 238.37 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-(4-tert-butylpiperidin-1-yl)ethanone is sourced from PubChem (CID 64611021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).