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

C32H56N2O2 — CID 22992807

IUPACN-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]tridecanamide
SMILESCCCCCCCCCCCCC(=O)NC1CC(C)(C)N(OC(C)c2ccccc2)C(CC)(CC)C1
InChIInChI=1S/C32H56N2O2/c1-7-10-11-12-13-14-15-16-17-21-24-30(35)33-29-25-31(5,6)34(32(8-2,9-3)26-29)36-27(4)28-22-19-18-20-23-28/h18-20,22-23,27,29H,7-17,21,24-26H2,1-6H3,(H,33,35)
InChIKeyNFZMXBPMDJMIRL-UHFFFAOYSA-N
MW500.81 g/mol
LogP8.91
Rot. Bonds17

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

N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]tridecanamide (PubChem CID 22992807) has the molecular formula C32H56N2O2 and a molecular weight of 500.81 g/mol. Its IUPAC name is N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]tridecanamide.

Molecular Properties

Compound NameN-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]tridecanamide
PubChem CID22992807
Molecular FormulaC32H56N2O2
Molecular Weight500.81 g/mol
Exact Mass500.43
IUPAC NameN-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]tridecanamide
SMILESCCCCCCCCCCCCC(=O)NC1CC(C)(C)N(OC(C)c2ccccc2)C(CC)(CC)C1
InChIInChI=1S/C32H56N2O2/c1-7-10-11-12-13-14-15-16-17-21-24-30(35)33-29-25-31(5,6)34(32(8-2,9-3)26-29)36-27(4)28-22-19-18-20-23-28/h18-20,22-23,27,29H,7-17,21,24-26H2,1-6H3,(H,33,35)
InChIKeyNFZMXBPMDJMIRL-UHFFFAOYSA-N
XLogP8.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.81
LogP ≤ 58.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]tridecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]octanamide
CID 22992781
[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]tridecanamide?
The IUPAC name of N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]tridecanamide (CID 22992807) is N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]tridecanamide.
What is the SMILES notation for N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]tridecanamide?
The canonical SMILES for N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]tridecanamide is CCCCCCCCCCCCC(=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]tridecanamide?
The InChIKey is NFZMXBPMDJMIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56N2O2/c1-7-10-11-12-13-14-15-16-17-21-24-30(35)33-29-25-31(5,6)34(32(8-2,9-3)26-29)36-27(4)28-22-19-18-20-23-28/h18-20,22-23,27,29H,7-17,21,24-26H2,1-6H3,(H,33,35).
What are the key properties of N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]tridecanamide?
N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]tridecanamide has a molecular weight of 500.81 g/mol, XLogP of 8.91, 17 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]tridecanamide is sourced from PubChem (CID 22992807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).