5,5-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]hexanamide

C17H34N2O — CID 86889175

IUPAC5,5-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]hexanamide
SMILESCC1CCCN(CCCNC(=O)CCCC(C)(C)C)C1
InChIInChI=1S/C17H34N2O/c1-15-8-6-12-19(14-15)13-7-11-18-16(20)9-5-10-17(2,3)4/h15H,5-14H2,1-4H3,(H,18,20)
InChIKeyKPXJVRLXHYOUKN-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.44
Rot. Bonds7

About 5,5-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]hexanamide

5,5-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]hexanamide (PubChem CID 86889175) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 5,5-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]hexanamide.

Molecular Properties

Compound Name5,5-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]hexanamide
PubChem CID86889175
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name5,5-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]hexanamide
SMILESCC1CCCN(CCCNC(=O)CCCC(C)(C)C)C1
InChIInChI=1S/C17H34N2O/c1-15-8-6-12-19(14-15)13-7-11-18-16(20)9-5-10-17(2,3)4/h15H,5-14H2,1-4H3,(H,18,20)
InChIKeyKPXJVRLXHYOUKN-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]propanamide
CID 94119599
5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide
CID 119394555
3-(3,4-dimethylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
CID 133199627
2-(diethylsulfamoyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide
CID 95351505
N-[2-(dimethylamino)ethyl]-3-(3-methylpiperidin-1-yl)propanamide
CID 109016229
(2S)-2-amino-3,3-dimethyl-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride
CID 119852698
2,2-difluoro-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide
CID 100701582
2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide
CID 94119841
1-cyclopentyl-3-[4-(3-methylpiperidin-1-yl)butyl]urea
CID 86998859
(2S)-2-amino-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]pentanamide
CID 126505031
1-tert-butyl-2-methyl-3-[4-(3-methylpiperidin-1-yl)butyl]guanidine
CID 110964985
3-(4-cyanophenyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]propanamide
CID 94120959

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]hexanamide?
The IUPAC name of 5,5-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]hexanamide (CID 86889175) is 5,5-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]hexanamide.
What is the SMILES notation for 5,5-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]hexanamide?
The canonical SMILES for 5,5-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]hexanamide is CC1CCCN(CCCNC(=O)CCCC(C)(C)C)C1.
What is the InChIKey of 5,5-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]hexanamide?
The InChIKey is KPXJVRLXHYOUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-15-8-6-12-19(14-15)13-7-11-18-16(20)9-5-10-17(2,3)4/h15H,5-14H2,1-4H3,(H,18,20).
What are the key properties of 5,5-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]hexanamide?
5,5-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]hexanamide has a molecular weight of 282.47 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]hexanamide is sourced from PubChem (CID 86889175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).