[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]methylurea

C22H37N3O2 — CID 21074352

IUPAC[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]methylurea
SMILESCCC1(C)CC(CNC(N)=O)C(C)C(C)(CC)N1OC(C)c1ccccc1
InChIInChI=1S/C22H37N3O2/c1-7-21(5)14-19(15-24-20(23)26)16(3)22(6,8-2)25(21)27-17(4)18-12-10-9-11-13-18/h9-13,16-17,19H,7-8,14-15H2,1-6H3,(H3,23,24,26)
InChIKeyMYWMXMPLGZJECX-UHFFFAOYSA-N
MW375.56 g/mol
LogP4.64
Rot. Bonds7

About [2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]methylurea

[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]methylurea (PubChem CID 21074352) has the molecular formula C22H37N3O2 and a molecular weight of 375.56 g/mol. Its IUPAC name is [2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]methylurea.

Molecular Properties

Compound Name[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]methylurea
PubChem CID21074352
Molecular FormulaC22H37N3O2
Molecular Weight375.56 g/mol
Exact Mass375.29
IUPAC Name[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]methylurea
SMILESCCC1(C)CC(CNC(N)=O)C(C)C(C)(CC)N1OC(C)c1ccccc1
InChIInChI=1S/C22H37N3O2/c1-7-21(5)14-19(15-24-20(23)26)16(3)22(6,8-2)25(21)27-17(4)18-12-10-9-11-13-18/h9-13,16-17,19H,7-8,14-15H2,1-6H3,(H3,23,24,26)
InChIKeyMYWMXMPLGZJECX-UHFFFAOYSA-N
XLogP4.64
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]methylurea?
The IUPAC name of [2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]methylurea (CID 21074352) is [2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]methylurea.
What is the SMILES notation for [2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]methylurea?
The canonical SMILES for [2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]methylurea is CCC1(C)CC(CNC(N)=O)C(C)C(C)(CC)N1OC(C)c1ccccc1.
What is the InChIKey of [2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]methylurea?
The InChIKey is MYWMXMPLGZJECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O2/c1-7-21(5)14-19(15-24-20(23)26)16(3)22(6,8-2)25(21)27-17(4)18-12-10-9-11-13-18/h9-13,16-17,19H,7-8,14-15H2,1-6H3,(H3,23,24,26).
What are the key properties of [2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]methylurea?
[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]methylurea has a molecular weight of 375.56 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]methylurea is sourced from PubChem (CID 21074352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).