N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]octanamide

C27H46N2O2 — CID 22992781

IUPACN-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]octanamide
SMILESCCCCCCCC(=O)NC1CC(C)(C)N(OC(C)c2ccccc2)C(CC)(CC)C1
InChIInChI=1S/C27H46N2O2/c1-7-10-11-12-16-19-25(30)28-24-20-26(5,6)29(27(8-2,9-3)21-24)31-22(4)23-17-14-13-15-18-23/h13-15,17-18,22,24H,7-12,16,19-21H2,1-6H3,(H,28,30)
InChIKeyBXLZHZOAVPYPLN-UHFFFAOYSA-N
MW430.68 g/mol
LogP6.96
Rot. Bonds12

About N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]octanamide

N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]octanamide (PubChem CID 22992781) has the molecular formula C27H46N2O2 and a molecular weight of 430.68 g/mol. Its IUPAC name is N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]octanamide.

Molecular Properties

Compound NameN-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]octanamide
PubChem CID22992781
Molecular FormulaC27H46N2O2
Molecular Weight430.68 g/mol
Exact Mass430.36
IUPAC NameN-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]octanamide
SMILESCCCCCCCC(=O)NC1CC(C)(C)N(OC(C)c2ccccc2)C(CC)(CC)C1
InChIInChI=1S/C27H46N2O2/c1-7-10-11-12-16-19-25(30)28-24-20-26(5,6)29(27(8-2,9-3)21-24)31-22(4)23-17-14-13-15-18-23/h13-15,17-18,22,24H,7-12,16,19-21H2,1-6H3,(H,28,30)
InChIKeyBXLZHZOAVPYPLN-UHFFFAOYSA-N
XLogP6.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.68
LogP ≤ 56.96
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-[(4S)-2,2-diethyl-6,6-dimethyl-1-[(1S)-1-phenylethoxy]piperidin-4-yl]nonanamide
CID 129394565
N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]tridecanamide
CID 22992807
[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] tridecanoate
CID 21361323
[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] undecanoate
CID 21361324
1-cyclohexyl-3-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea
CID 22992800
N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]formamide
CID 22992797
2,2-diethyl-6,6-dimethyl-4-octadecyl-1-(1-phenylethoxy)piperidine
CID 174431842
[2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] heptanoate
CID 21361369
4-O-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] 1-O-methyl but-2-enedioate
CID 69411574
2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-amine
CID 21361325
4-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]imino-4-methoxybutanoic acid
CID 69413435
6-[[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]amino]-6-oxohexanoic acid
CID 21361380

Frequently Asked Questions

What is the IUPAC name of N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]octanamide?
The IUPAC name of N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]octanamide (CID 22992781) is N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]octanamide.
What is the SMILES notation for N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]octanamide?
The canonical SMILES for N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]octanamide is CCCCCCCC(=O)NC1CC(C)(C)N(OC(C)c2ccccc2)C(CC)(CC)C1.
What is the InChIKey of N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]octanamide?
The InChIKey is BXLZHZOAVPYPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46N2O2/c1-7-10-11-12-16-19-25(30)28-24-20-26(5,6)29(27(8-2,9-3)21-24)31-22(4)23-17-14-13-15-18-23/h13-15,17-18,22,24H,7-12,16,19-21H2,1-6H3,(H,28,30).
What are the key properties of N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]octanamide?
N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]octanamide has a molecular weight of 430.68 g/mol, XLogP of 6.96, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]octanamide is sourced from PubChem (CID 22992781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).