3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethylhexanamide

C16H33N3O — CID 107163964

IUPAC3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethylhexanamide
SMILESCN1CCC(C)(CNC(=O)CC(N)CC(C)(C)C)CC1
InChIInChI=1S/C16H33N3O/c1-15(2,3)11-13(17)10-14(20)18-12-16(4)6-8-19(5)9-7-16/h13H,6-12,17H2,1-5H3,(H,18,20)
InChIKeyAALBORBYESNCKP-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.99
Rot. Bonds5

About 3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethylhexanamide

3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethylhexanamide (PubChem CID 107163964) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethylhexanamide.

Molecular Properties

Compound Name3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethylhexanamide
PubChem CID107163964
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethylhexanamide
SMILESCN1CCC(C)(CNC(=O)CC(N)CC(C)(C)C)CC1
InChIInChI=1S/C16H33N3O/c1-15(2,3)11-13(17)10-14(20)18-12-16(4)6-8-19(5)9-7-16/h13H,6-12,17H2,1-5H3,(H,18,20)
InChIKeyAALBORBYESNCKP-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5,5-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]hexanamide
CID 114515744
3-[(1,4-dimethylpiperidin-4-yl)methylamino]-3-oxopropanoic acid
CID 104889410
(2S)-2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methylpentanamide
CID 107163870
3-amino-4,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]pentanamide
CID 114125228
2-(2-aminoethoxy)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 107164001
3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2,2-dimethyl-3-sulfanylidenepropanamide
CID 107164095
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 107163946
2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 104920672
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylsulfonylacetamide
CID 136521862
6-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-oxohexanoic acid
CID 107163135
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpentanamide
CID 107163906
2-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide
CID 107163376

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethylhexanamide?
The IUPAC name of 3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethylhexanamide (CID 107163964) is 3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethylhexanamide.
What is the SMILES notation for 3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethylhexanamide?
The canonical SMILES for 3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethylhexanamide is CN1CCC(C)(CNC(=O)CC(N)CC(C)(C)C)CC1.
What is the InChIKey of 3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethylhexanamide?
The InChIKey is AALBORBYESNCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-15(2,3)11-13(17)10-14(20)18-12-16(4)6-8-19(5)9-7-16/h13H,6-12,17H2,1-5H3,(H,18,20).
What are the key properties of 3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethylhexanamide?
3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethylhexanamide has a molecular weight of 283.46 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethylhexanamide is sourced from PubChem (CID 107163964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).