N-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]octanamide

C18H35N3O2 — CID 122158507

IUPACN-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]octanamide
SMILESCCCCCCCC(=O)NCC1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C18H35N3O2/c1-4-5-6-7-8-9-17(22)19-14-16-10-12-21(13-11-16)15-18(23)20(2)3/h16H,4-15H2,1-3H3,(H,19,22)
InChIKeyUCIAGQDIUFDFBB-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.26
Rot. Bonds10

About N-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]octanamide

N-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]octanamide (PubChem CID 122158507) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is N-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]octanamide.

Molecular Properties

Compound NameN-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]octanamide
PubChem CID122158507
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC NameN-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]octanamide
SMILESCCCCCCCC(=O)NCC1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C18H35N3O2/c1-4-5-6-7-8-9-17(22)19-14-16-10-12-21(13-11-16)15-18(23)20(2)3/h16H,4-15H2,1-3H3,(H,19,22)
InChIKeyUCIAGQDIUFDFBB-UHFFFAOYSA-N
XLogP2.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63849787
N-[(4-chlorocyclohexyl)methyl]octanamide
CID 106133761
N,N-dimethyl-2-[4-(octylamino)piperidin-1-yl]acetamide
CID 115566789
N-(piperidin-4-ylmethyl)heptanamide
CID 115736684
N-[(1-acetylpiperidin-4-yl)methyl]pentanamide
CID 110736125
2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylacetamide
CID 55257781
N-[(3-hydroxycyclobutyl)methyl]dodecanamide
CID 66006246
N-[(3-chlorocyclopentyl)methyl]decanamide
CID 106126403
N-(pyrrolidin-3-ylmethyl)dodecanamide
CID 80564166
N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63848050
N-[4-[[4-(dimethylamino)-4-oxobutyl]amino]-4-oxobutyl]octanamide
CID 86082203
N-[(4-aminocyclohexyl)methyl]pentanamide
CID 106124302

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]octanamide?
The IUPAC name of N-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]octanamide (CID 122158507) is N-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]octanamide.
What is the SMILES notation for N-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]octanamide?
The canonical SMILES for N-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]octanamide is CCCCCCCC(=O)NCC1CCN(CC(=O)N(C)C)CC1.
What is the InChIKey of N-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]octanamide?
The InChIKey is UCIAGQDIUFDFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-4-5-6-7-8-9-17(22)19-14-16-10-12-21(13-11-16)15-18(23)20(2)3/h16H,4-15H2,1-3H3,(H,19,22).
What are the key properties of N-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]octanamide?
N-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]octanamide has a molecular weight of 325.50 g/mol, XLogP of 2.26, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]octanamide is sourced from PubChem (CID 122158507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).