3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzamide

C17H27N3O — CID 63277160

IUPAC3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzamide
SMILESCC1(C)CC(NCc2cccc(C(N)=O)c2)CC(C)(C)N1
InChIInChI=1S/C17H27N3O/c1-16(2)9-14(10-17(3,4)20-16)19-11-12-6-5-7-13(8-12)15(18)21/h5-8,14,19-20H,9-11H2,1-4H3,(H2,18,21)
InChIKeyQKBKKXGZZCFGFD-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.18
Rot. Bonds4

About 3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzamide

3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzamide (PubChem CID 63277160) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzamide
PubChem CID63277160
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzamide
SMILESCC1(C)CC(NCc2cccc(C(N)=O)c2)CC(C)(C)N1
InChIInChI=1S/C17H27N3O/c1-16(2)9-14(10-17(3,4)20-16)19-11-12-6-5-7-13(8-12)15(18)21/h5-8,14,19-20H,9-11H2,1-4H3,(H2,18,21)
InChIKeyQKBKKXGZZCFGFD-UHFFFAOYSA-N
XLogP2.18
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 28674695
3-[[(4-hydroxycyclohexyl)amino]methyl]benzamide
CID 62998980
2,2,6,6-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 119114791
3-[[(3-phenylcyclobutyl)amino]methyl]benzamide
CID 43664689
3-[(oxolan-3-ylamino)methyl]benzamide
CID 63332008
3-[(thiolan-3-ylamino)methyl]benzamide
CID 43664732
3-[[(1-methylcyclopropyl)amino]methyl]benzamide
CID 115635058
4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzene-1,2-diol
CID 28674803
3-[(carbamoylamino)methyl]benzamide
CID 166184789
3-[[(2-methylcyclopentyl)amino]methyl]benzamide
CID 63277760
3-[(2-ethylanilino)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 84556584
1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide
CID 158461970

Frequently Asked Questions

What is the IUPAC name of 3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzamide?
The IUPAC name of 3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzamide (CID 63277160) is 3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzamide.
What is the SMILES notation for 3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzamide?
The canonical SMILES for 3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzamide is CC1(C)CC(NCc2cccc(C(N)=O)c2)CC(C)(C)N1.
What is the InChIKey of 3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzamide?
The InChIKey is QKBKKXGZZCFGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-16(2)9-14(10-17(3,4)20-16)19-11-12-6-5-7-13(8-12)15(18)21/h5-8,14,19-20H,9-11H2,1-4H3,(H2,18,21).
What are the key properties of 3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzamide?
3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzamide has a molecular weight of 289.42 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzamide is sourced from PubChem (CID 63277160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).