1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-[(1-methylpiperidin-2-yl)methyl]urea

C17H26ClN3O2 — CID 119071979

IUPAC1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-[(1-methylpiperidin-2-yl)methyl]urea
SMILESCN(CCOc1cccc(Cl)c1)C(=O)NCC1CCCCN1C
InChIInChI=1S/C17H26ClN3O2/c1-20-9-4-3-7-15(20)13-19-17(22)21(2)10-11-23-16-8-5-6-14(18)12-16/h5-6,8,12,15H,3-4,7,9-11,13H2,1-2H3,(H,19,22)
InChIKeyAFTPHSDKKXTNLT-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.84
Rot. Bonds6

About 1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-[(1-methylpiperidin-2-yl)methyl]urea

1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-[(1-methylpiperidin-2-yl)methyl]urea (PubChem CID 119071979) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-[(1-methylpiperidin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-[(1-methylpiperidin-2-yl)methyl]urea
PubChem CID119071979
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-[(1-methylpiperidin-2-yl)methyl]urea
SMILESCN(CCOc1cccc(Cl)c1)C(=O)NCC1CCCCN1C
InChIInChI=1S/C17H26ClN3O2/c1-20-9-4-3-7-15(20)13-19-17(22)21(2)10-11-23-16-8-5-6-14(18)12-16/h5-6,8,12,15H,3-4,7,9-11,13H2,1-2H3,(H,19,22)
InChIKeyAFTPHSDKKXTNLT-UHFFFAOYSA-N
XLogP2.84
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(3-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 18119826
1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea
CID 56567983
1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea
CID 24528515
3-[2-(dimethylamino)ethoxy]-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62659586
N-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 60938135
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9246729
1-[3-(4-chlorophenoxy)propyl]-1-methyl-3-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]urea
CID 126442594
(1R,3R,4S)-N-[2-(3-chlorophenoxy)ethyl]-4-hydroxy-3-methoxy-N-methylcyclohexane-1-carboxamide
CID 135097680
2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[3-(3-chlorophenoxy)propyl]-N-methylacetamide
CID 166613961
1-[2-(3-chlorophenoxy)ethyl]-3-[(3S)-1,1-dioxothiolan-3-yl]-1-methylurea
CID 94173435
2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide
CID 18094726
N-[2-(3-chlorophenoxy)ethyl]-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide
CID 18277180

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-[(1-methylpiperidin-2-yl)methyl]urea?
The IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-[(1-methylpiperidin-2-yl)methyl]urea (CID 119071979) is 1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-[(1-methylpiperidin-2-yl)methyl]urea.
What is the SMILES notation for 1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-[(1-methylpiperidin-2-yl)methyl]urea?
The canonical SMILES for 1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-[(1-methylpiperidin-2-yl)methyl]urea is CN(CCOc1cccc(Cl)c1)C(=O)NCC1CCCCN1C.
What is the InChIKey of 1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-[(1-methylpiperidin-2-yl)methyl]urea?
The InChIKey is AFTPHSDKKXTNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-20-9-4-3-7-15(20)13-19-17(22)21(2)10-11-23-16-8-5-6-14(18)12-16/h5-6,8,12,15H,3-4,7,9-11,13H2,1-2H3,(H,19,22).
What are the key properties of 1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-[(1-methylpiperidin-2-yl)methyl]urea?
1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-[(1-methylpiperidin-2-yl)methyl]urea has a molecular weight of 339.87 g/mol, XLogP of 2.84, 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-[(1-methylpiperidin-2-yl)methyl]urea is sourced from PubChem (CID 119071979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).