(4-tert-butylpiperidin-1-yl)-(3,3-dimethylazetidin-1-yl)methanone

C15H28N2O — CID 121450288

IUPAC(4-tert-butylpiperidin-1-yl)-(3,3-dimethylazetidin-1-yl)methanone
SMILESCC1(C)CN(C(=O)N2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C15H28N2O/c1-14(2,3)12-6-8-16(9-7-12)13(18)17-10-15(4,5)11-17/h12H,6-11H2,1-5H3
InChIKeyWXEKYTHWJOWVPG-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.21
Rot. Bonds

About (4-tert-butylpiperidin-1-yl)-(3,3-dimethylazetidin-1-yl)methanone

(4-tert-butylpiperidin-1-yl)-(3,3-dimethylazetidin-1-yl)methanone (PubChem CID 121450288) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (4-tert-butylpiperidin-1-yl)-(3,3-dimethylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylpiperidin-1-yl)-(3,3-dimethylazetidin-1-yl)methanone
PubChem CID121450288
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(4-tert-butylpiperidin-1-yl)-(3,3-dimethylazetidin-1-yl)methanone
SMILESCC1(C)CN(C(=O)N2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C15H28N2O/c1-14(2,3)12-6-8-16(9-7-12)13(18)17-10-15(4,5)11-17/h12H,6-11H2,1-5H3
InChIKeyWXEKYTHWJOWVPG-UHFFFAOYSA-N
XLogP3.21
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpiperidin-1-yl)-(3,3-dimethylazetidin-1-yl)methanone?
The IUPAC name of (4-tert-butylpiperidin-1-yl)-(3,3-dimethylazetidin-1-yl)methanone (CID 121450288) is (4-tert-butylpiperidin-1-yl)-(3,3-dimethylazetidin-1-yl)methanone.
What is the SMILES notation for (4-tert-butylpiperidin-1-yl)-(3,3-dimethylazetidin-1-yl)methanone?
The canonical SMILES for (4-tert-butylpiperidin-1-yl)-(3,3-dimethylazetidin-1-yl)methanone is CC1(C)CN(C(=O)N2CCC(C(C)(C)C)CC2)C1.
What is the InChIKey of (4-tert-butylpiperidin-1-yl)-(3,3-dimethylazetidin-1-yl)methanone?
The InChIKey is WXEKYTHWJOWVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-14(2,3)12-6-8-16(9-7-12)13(18)17-10-15(4,5)11-17/h12H,6-11H2,1-5H3.
What are the key properties of (4-tert-butylpiperidin-1-yl)-(3,3-dimethylazetidin-1-yl)methanone?
(4-tert-butylpiperidin-1-yl)-(3,3-dimethylazetidin-1-yl)methanone has a molecular weight of 252.40 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylpiperidin-1-yl)-(3,3-dimethylazetidin-1-yl)methanone is sourced from PubChem (CID 121450288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).