4-[[(1-tert-butylpiperidin-4-yl)amino]methyl]benzamide

C17H27N3O — CID 60932416

IUPAC4-[[(1-tert-butylpiperidin-4-yl)amino]methyl]benzamide
SMILESCC(C)(C)N1CCC(NCc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C17H27N3O/c1-17(2,3)20-10-8-15(9-11-20)19-12-13-4-6-14(7-5-13)16(18)21/h4-7,15,19H,8-12H2,1-3H3,(H2,18,21)
InChIKeyIWPBVXHIUNAKSJ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.14
Rot. Bonds4

About 4-[[(1-tert-butylpiperidin-4-yl)amino]methyl]benzamide

4-[[(1-tert-butylpiperidin-4-yl)amino]methyl]benzamide (PubChem CID 60932416) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-[[(1-tert-butylpiperidin-4-yl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(1-tert-butylpiperidin-4-yl)amino]methyl]benzamide
PubChem CID60932416
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-[[(1-tert-butylpiperidin-4-yl)amino]methyl]benzamide
SMILESCC(C)(C)N1CCC(NCc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C17H27N3O/c1-17(2,3)20-10-8-15(9-11-20)19-12-13-4-6-14(7-5-13)16(18)21/h4-7,15,19H,8-12H2,1-3H3,(H2,18,21)
InChIKeyIWPBVXHIUNAKSJ-UHFFFAOYSA-N
XLogP2.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1-tert-butylpiperidin-4-yl)amino]methyl]benzamide?
The IUPAC name of 4-[[(1-tert-butylpiperidin-4-yl)amino]methyl]benzamide (CID 60932416) is 4-[[(1-tert-butylpiperidin-4-yl)amino]methyl]benzamide.
What is the SMILES notation for 4-[[(1-tert-butylpiperidin-4-yl)amino]methyl]benzamide?
The canonical SMILES for 4-[[(1-tert-butylpiperidin-4-yl)amino]methyl]benzamide is CC(C)(C)N1CCC(NCc2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of 4-[[(1-tert-butylpiperidin-4-yl)amino]methyl]benzamide?
The InChIKey is IWPBVXHIUNAKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-17(2,3)20-10-8-15(9-11-20)19-12-13-4-6-14(7-5-13)16(18)21/h4-7,15,19H,8-12H2,1-3H3,(H2,18,21).
What are the key properties of 4-[[(1-tert-butylpiperidin-4-yl)amino]methyl]benzamide?
4-[[(1-tert-butylpiperidin-4-yl)amino]methyl]benzamide has a molecular weight of 289.42 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-tert-butylpiperidin-4-yl)amino]methyl]benzamide is sourced from PubChem (CID 60932416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).