1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea

C21H26ClN3O2 — CID 56567983

IUPAC1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea
SMILESCN(CCOc1cccc(Cl)c1)C(=O)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C21H26ClN3O2/c1-24(14-15-27-18-9-7-8-17(22)16-18)21(26)23-19-10-3-4-11-20(19)25-12-5-2-6-13-25/h3-4,7-11,16H,2,5-6,12-15H2,1H3,(H,23,26)
InChIKeySVKMCOJIPTXEBM-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.87
Rot. Bonds6

About 1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea

1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea (PubChem CID 56567983) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea
PubChem CID56567983
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea
SMILESCN(CCOc1cccc(Cl)c1)C(=O)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C21H26ClN3O2/c1-24(14-15-27-18-9-7-8-17(22)16-18)21(26)23-19-10-3-4-11-20(19)25-12-5-2-6-13-25/h3-4,7-11,16H,2,5-6,12-15H2,1H3,(H,23,26)
InChIKeySVKMCOJIPTXEBM-UHFFFAOYSA-N
XLogP4.87
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea
CID 52592988
1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea
CID 24528515
1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-[(1-methylpiperidin-2-yl)methyl]urea
CID 119071979
N-[2-[2-(3-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 18119826
N-[2-(3-chlorophenoxy)ethyl]-N,1-dimethylcyclopentane-1-carboxamide
CID 55480704
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9246729
N-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 60938135
N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide
CID 60953888
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 134041709
N-[2-(3-chlorophenoxy)ethyl]-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-methyl-4-oxobutanamide
CID 56564384
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56574904
1-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464035

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea?
The IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea (CID 56567983) is 1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea.
What is the SMILES notation for 1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea?
The canonical SMILES for 1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea is CN(CCOc1cccc(Cl)c1)C(=O)Nc1ccccc1N1CCCCC1.
What is the InChIKey of 1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea?
The InChIKey is SVKMCOJIPTXEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-24(14-15-27-18-9-7-8-17(22)16-18)21(26)23-19-10-3-4-11-20(19)25-12-5-2-6-13-25/h3-4,7-11,16H,2,5-6,12-15H2,1H3,(H,23,26).
What are the key properties of 1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea?
1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea has a molecular weight of 387.91 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea is sourced from PubChem (CID 56567983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).