1-cyclohexyl-3-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea

C26H43N3O2 — CID 22992800

IUPAC1-cyclohexyl-3-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea
SMILESCCC1(CC)CC(NC(=O)NC2CCCCC2)CC(C)(C)N1OC(C)c1ccccc1
InChIInChI=1S/C26H43N3O2/c1-6-26(7-2)19-23(28-24(30)27-22-16-12-9-13-17-22)18-25(4,5)29(26)31-20(3)21-14-10-8-11-15-21/h8,10-11,14-15,20,22-23H,6-7,9,12-13,16-19H2,1-5H3,(H2,27,28,30)
InChIKeySSIFBQZTGHNJAU-UHFFFAOYSA-N
MW429.65 g/mol
LogP6.11
Rot. Bonds7

About 1-cyclohexyl-3-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea

1-cyclohexyl-3-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea (PubChem CID 22992800) has the molecular formula C26H43N3O2 and a molecular weight of 429.65 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea
PubChem CID22992800
Molecular FormulaC26H43N3O2
Molecular Weight429.65 g/mol
Exact Mass429.34
IUPAC Name1-cyclohexyl-3-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea
SMILESCCC1(CC)CC(NC(=O)NC2CCCCC2)CC(C)(C)N1OC(C)c1ccccc1
InChIInChI=1S/C26H43N3O2/c1-6-26(7-2)19-23(28-24(30)27-22-16-12-9-13-17-22)18-25(4,5)29(26)31-20(3)21-14-10-8-11-15-21/h8,10-11,14-15,20,22-23H,6-7,9,12-13,16-19H2,1-5H3,(H2,27,28,30)
InChIKeySSIFBQZTGHNJAU-UHFFFAOYSA-N
XLogP6.11
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.65
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-3-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea with MolForge

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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]octanamide
CID 22992781
N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]tridecanamide
CID 22992807
N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]formamide
CID 22992797
2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-amine
CID 21361325
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-yl] tridecanoate
CID 21361323
[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] undecanoate
CID 21361324
4-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]imino-4-methoxybutanoic acid
CID 69413435
2,2-diethyl-6,6-dimethyl-4-octadecyl-1-(1-phenylethoxy)piperidine
CID 174431842
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
2',2'-diethyl-6',6'-dimethyl-1'-(1-phenylethoxy)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,4'-piperidine]
CID 58982491

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea (CID 22992800) is 1-cyclohexyl-3-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea is CCC1(CC)CC(NC(=O)NC2CCCCC2)CC(C)(C)N1OC(C)c1ccccc1.
What is the InChIKey of 1-cyclohexyl-3-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea?
The InChIKey is SSIFBQZTGHNJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N3O2/c1-6-26(7-2)19-23(28-24(30)27-22-16-12-9-13-17-22)18-25(4,5)29(26)31-20(3)21-14-10-8-11-15-21/h8,10-11,14-15,20,22-23H,6-7,9,12-13,16-19H2,1-5H3,(H2,27,28,30).
What are the key properties of 1-cyclohexyl-3-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea?
1-cyclohexyl-3-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea has a molecular weight of 429.65 g/mol, XLogP of 6.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea is sourced from PubChem (CID 22992800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).