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

C20H33N3O2 — CID 21074351

IUPAC[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea
SMILESCCC1(CC)CC(NC(N)=O)CC(C)(C)N1OC(C)c1ccccc1
InChIInChI=1S/C20H33N3O2/c1-6-20(7-2)14-17(22-18(21)24)13-19(4,5)23(20)25-15(3)16-11-9-8-10-12-16/h8-12,15,17H,6-7,13-14H2,1-5H3,(H3,21,22,24)
InChIKeyLOWCPVZZRIOYKV-UHFFFAOYSA-N
MW347.50 g/mol
LogP4.15
Rot. Bonds6

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

[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea (PubChem CID 21074351) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea.

Molecular Properties

Compound Name[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea
PubChem CID21074351
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea
SMILESCCC1(CC)CC(NC(N)=O)CC(C)(C)N1OC(C)c1ccccc1
InChIInChI=1S/C20H33N3O2/c1-6-20(7-2)14-17(22-18(21)24)13-19(4,5)23(20)25-15(3)16-11-9-8-10-12-16/h8-12,15,17H,6-7,13-14H2,1-5H3,(H3,21,22,24)
InChIKeyLOWCPVZZRIOYKV-UHFFFAOYSA-N
XLogP4.15
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea?
The IUPAC name of [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea (CID 21074351) is [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea.
What is the SMILES notation for [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea?
The canonical SMILES for [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea is CCC1(CC)CC(NC(N)=O)CC(C)(C)N1OC(C)c1ccccc1.
What is the InChIKey of [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea?
The InChIKey is LOWCPVZZRIOYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-6-20(7-2)14-17(22-18(21)24)13-19(4,5)23(20)25-15(3)16-11-9-8-10-12-16/h8-12,15,17H,6-7,13-14H2,1-5H3,(H3,21,22,24).
What are the key properties of [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea?
[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea has a molecular weight of 347.50 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea is sourced from PubChem (CID 21074351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).