3-amino-5,5-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]hexanamide

C16H33N3O — CID 114515744

IUPAC3-amino-5,5-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]hexanamide
SMILESCN1CCC(CCNC(=O)CC(N)CC(C)(C)C)CC1
InChIInChI=1S/C16H33N3O/c1-16(2,3)12-14(17)11-15(20)18-8-5-13-6-9-19(4)10-7-13/h13-14H,5-12,17H2,1-4H3,(H,18,20)
InChIKeyYLOCQAMEKIIZHV-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.99
Rot. Bonds6

About 3-amino-5,5-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]hexanamide

3-amino-5,5-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]hexanamide (PubChem CID 114515744) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 3-amino-5,5-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]hexanamide.

Molecular Properties

Compound Name3-amino-5,5-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]hexanamide
PubChem CID114515744
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name3-amino-5,5-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]hexanamide
SMILESCN1CCC(CCNC(=O)CC(N)CC(C)(C)C)CC1
InChIInChI=1S/C16H33N3O/c1-16(2,3)12-14(17)11-15(20)18-8-5-13-6-9-19(4)10-7-13/h13-14H,5-12,17H2,1-4H3,(H,18,20)
InChIKeyYLOCQAMEKIIZHV-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 115740928
4-amino-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentanamide
CID 115740935
3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethylhexanamide
CID 107163964
(2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 103814143
2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
CID 119865894
3-(tert-butylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 114515771
3-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 114515725
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 113267480
4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
CID 119865945
ethane;N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 145305078
3-amino-N-(4-amino-4-oxobutyl)-5,5-dimethylhexanamide
CID 113496988
2-amino-3-hydroxy-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide
CID 115180122

Frequently Asked Questions

What is the IUPAC name of 3-amino-5,5-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]hexanamide?
The IUPAC name of 3-amino-5,5-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]hexanamide (CID 114515744) is 3-amino-5,5-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]hexanamide.
What is the SMILES notation for 3-amino-5,5-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]hexanamide?
The canonical SMILES for 3-amino-5,5-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]hexanamide is CN1CCC(CCNC(=O)CC(N)CC(C)(C)C)CC1.
What is the InChIKey of 3-amino-5,5-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]hexanamide?
The InChIKey is YLOCQAMEKIIZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-16(2,3)12-14(17)11-15(20)18-8-5-13-6-9-19(4)10-7-13/h13-14H,5-12,17H2,1-4H3,(H,18,20).
What are the key properties of 3-amino-5,5-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]hexanamide?
3-amino-5,5-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]hexanamide has a molecular weight of 283.46 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,5-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]hexanamide is sourced from PubChem (CID 114515744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).