4-[(1-tert-butylpiperidin-4-yl)-methylamino]butanamide

C14H29N3O — CID 118531389

IUPAC4-[(1-tert-butylpiperidin-4-yl)-methylamino]butanamide
SMILESCN(CCCC(N)=O)C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-14(2,3)17-10-7-12(8-11-17)16(4)9-5-6-13(15)18/h12H,5-11H2,1-4H3,(H2,15,18)
InChIKeyIOPXSPDOCOQWHE-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.45
Rot. Bonds5

About 4-[(1-tert-butylpiperidin-4-yl)-methylamino]butanamide

4-[(1-tert-butylpiperidin-4-yl)-methylamino]butanamide (PubChem CID 118531389) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-[(1-tert-butylpiperidin-4-yl)-methylamino]butanamide.

Molecular Properties

Compound Name4-[(1-tert-butylpiperidin-4-yl)-methylamino]butanamide
PubChem CID118531389
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name4-[(1-tert-butylpiperidin-4-yl)-methylamino]butanamide
SMILESCN(CCCC(N)=O)C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-14(2,3)17-10-7-12(8-11-17)16(4)9-5-6-13(15)18/h12H,5-11H2,1-4H3,(H2,15,18)
InChIKeyIOPXSPDOCOQWHE-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-tert-butylpiperidin-4-yl)-methylamino]butanamide?
The IUPAC name of 4-[(1-tert-butylpiperidin-4-yl)-methylamino]butanamide (CID 118531389) is 4-[(1-tert-butylpiperidin-4-yl)-methylamino]butanamide.
What is the SMILES notation for 4-[(1-tert-butylpiperidin-4-yl)-methylamino]butanamide?
The canonical SMILES for 4-[(1-tert-butylpiperidin-4-yl)-methylamino]butanamide is CN(CCCC(N)=O)C1CCN(C(C)(C)C)CC1.
What is the InChIKey of 4-[(1-tert-butylpiperidin-4-yl)-methylamino]butanamide?
The InChIKey is IOPXSPDOCOQWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-14(2,3)17-10-7-12(8-11-17)16(4)9-5-6-13(15)18/h12H,5-11H2,1-4H3,(H2,15,18).
What are the key properties of 4-[(1-tert-butylpiperidin-4-yl)-methylamino]butanamide?
4-[(1-tert-butylpiperidin-4-yl)-methylamino]butanamide has a molecular weight of 255.41 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-tert-butylpiperidin-4-yl)-methylamino]butanamide is sourced from PubChem (CID 118531389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).