1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

C18H38N4O — CID 54455587

IUPAC1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC(C)N(CCNC(=O)NC1CC(C)(C)NC(C)(C)C1)C(C)C
InChIInChI=1S/C18H38N4O/c1-13(2)22(14(3)4)10-9-19-16(23)20-15-11-17(5,6)21-18(7,8)12-15/h13-15,21H,9-12H2,1-8H3,(H2,19,20,23)
InChIKeyXWTHRXPBDHYSIC-UHFFFAOYSA-N
MW326.53 g/mol
LogP2.71
Rot. Bonds6

About 1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 54455587) has the molecular formula C18H38N4O and a molecular weight of 326.53 g/mol. Its IUPAC name is 1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID54455587
Molecular FormulaC18H38N4O
Molecular Weight326.53 g/mol
Exact Mass326.30
IUPAC Name1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC(C)N(CCNC(=O)NC1CC(C)(C)NC(C)(C)C1)C(C)C
InChIInChI=1S/C18H38N4O/c1-13(2)22(14(3)4)10-9-19-16(23)20-15-11-17(5,6)21-18(7,8)12-15/h13-15,21H,9-12H2,1-8H3,(H2,19,20,23)
InChIKeyXWTHRXPBDHYSIC-UHFFFAOYSA-N
XLogP2.71
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea with MolForge

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Related Compounds

1-cyclohexyl-3-[2-[di(propan-2-yl)amino]ethyl]urea
CID 115569818
1-(4-hydroxy-2-methylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 111503774
1-(2-hydroxy-3-methylpentyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 111337745
N-[2-(diethylamino)ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108522161
(2S)-2-amino-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pentanamide
CID 61247695
(2R)-2-amino-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pentanamide
CID 104903249
1-[2-[di(propan-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea
CID 110894307
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 33424384
2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 113225451
1-tert-butyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 108896891
1-[2-(3-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 108900751
N-[2-[di(propan-2-yl)amino]ethyl]-2-methyloxirane-2-carboxamide
CID 166429060

Frequently Asked Questions

What is the IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 54455587) is 1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is CC(C)N(CCNC(=O)NC1CC(C)(C)NC(C)(C)C1)C(C)C.
What is the InChIKey of 1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is XWTHRXPBDHYSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N4O/c1-13(2)22(14(3)4)10-9-19-16(23)20-15-11-17(5,6)21-18(7,8)12-15/h13-15,21H,9-12H2,1-8H3,(H2,19,20,23).
What are the key properties of 1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 326.53 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 54455587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).