1-(3,4-dichlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)urea

C16H24Cl2N3O+ — CID 7304408

IUPAC1-(3,4-dichlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)urea
SMILESCC1(C)CC(NC(=O)Nc2ccc(Cl)c(Cl)c2)CC(C)(C)[NH2+]1
InChIInChI=1S/C16H23Cl2N3O/c1-15(2)8-11(9-16(3,4)21-15)20-14(22)19-10-5-6-12(17)13(18)7-10/h5-7,11,21H,8-9H2,1-4H3,(H2,19,20,22)/p+1
InChIKeyFYQRCRGUPBVYTH-UHFFFAOYSA-O
MW345.29 g/mol
LogP3.40
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)urea

1-(3,4-dichlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)urea (PubChem CID 7304408) has the molecular formula C16H24Cl2N3O+ and a molecular weight of 345.29 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)urea
PubChem CID7304408
Molecular FormulaC16H24Cl2N3O+
Molecular Weight345.29 g/mol
Exact Mass344.13
IUPAC Name1-(3,4-dichlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)urea
SMILESCC1(C)CC(NC(=O)Nc2ccc(Cl)c(Cl)c2)CC(C)(C)[NH2+]1
InChIInChI=1S/C16H23Cl2N3O/c1-15(2)8-11(9-16(3,4)21-15)20-14(22)19-10-5-6-12(17)13(18)7-10/h5-7,11,21H,8-9H2,1-4H3,(H2,19,20,22)/p+1
InChIKeyFYQRCRGUPBVYTH-UHFFFAOYSA-O
XLogP3.40
TPSA57.74 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.29
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dichlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea
CID 7317468
1-(3,4-dichlorophenyl)-3-(4-oxocyclohexyl)urea
CID 43652933
1-(3,4-dichlorophenyl)-3-(2,3-dihydro-1H-inden-2-yl)urea
CID 9350005
1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
CID 6469220
1-(azepan-4-yl)-3-(3,4-dichlorophenyl)urea
CID 107172624
1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea
CID 108876025
N-[4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamothioyl]phenyl]acetamide
CID 2538448
1-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-3-yl)urea
CID 47349344
N'-(4-bromo-3-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)oxamide
CID 7282568
4-chloro-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide
CID 5065977
1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
CID 73352041
1-(6-chloro-3-pyridinyl)-3-(3-fluoro-3-methylcyclobutyl)urea
CID 146092154

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)urea (CID 7304408) is 1-(3,4-dichlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)urea is CC1(C)CC(NC(=O)Nc2ccc(Cl)c(Cl)c2)CC(C)(C)[NH2+]1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)urea?
The InChIKey is FYQRCRGUPBVYTH-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H23Cl2N3O/c1-15(2)8-11(9-16(3,4)21-15)20-14(22)19-10-5-6-12(17)13(18)7-10/h5-7,11,21H,8-9H2,1-4H3,(H2,19,20,22)/p+1.
What are the key properties of 1-(3,4-dichlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)urea?
1-(3,4-dichlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)urea has a molecular weight of 345.29 g/mol, XLogP of 3.40, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)urea is sourced from PubChem (CID 7304408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).