3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea

C20H27N5O2 — CID 174348265

IUPAC3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea
SMILESCOc1ccc(CCNC(=O)N(C)C2CCCN(c3cccnn3)C2)cc1
InChIInChI=1S/C20H27N5O2/c1-24(17-5-4-14-25(15-17)19-6-3-12-22-23-19)20(26)21-13-11-16-7-9-18(27-2)10-8-16/h3,6-10,12,17H,4-5,11,13-15H2,1-2H3,(H,21,26)
InChIKeyFATSWZUYAHVCJT-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.34
Rot. Bonds6

About 3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea

3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea (PubChem CID 174348265) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea
PubChem CID174348265
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea
SMILESCOc1ccc(CCNC(=O)N(C)C2CCCN(c3cccnn3)C2)cc1
InChIInChI=1S/C20H27N5O2/c1-24(17-5-4-14-25(15-17)19-6-3-12-22-23-19)20(26)21-13-11-16-7-9-18(27-2)10-8-16/h3,6-10,12,17H,4-5,11,13-15H2,1-2H3,(H,21,26)
InChIKeyFATSWZUYAHVCJT-UHFFFAOYSA-N
XLogP2.34
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(3-chlorophenyl)ethyl]-1-methyl-1-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]urea
CID 165119866
3-[(3,4-dimethylphenyl)methyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea
CID 174344195
3-[(3,4-difluorophenyl)methyl]-1-methyl-1-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]urea
CID 165119679
3-amino-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 119879707
3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea
CID 136517389
3-amino-N,2-dimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide
CID 120503791
N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3223369
3-(2-aminophenyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide
CID 120613030
4-methoxy-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride
CID 119879691
1-(1,1-dioxothiolan-3-yl)-3-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 108901955
(2S,5R)-5-(aminomethyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)oxolane-2-carboxamide
CID 120800140
3-[2-(4-chloro-3-fluorophenyl)cyclopropyl]-1-methyl-1-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]urea
CID 165119629

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea?
The IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea (CID 174348265) is 3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea?
The canonical SMILES for 3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea is COc1ccc(CCNC(=O)N(C)C2CCCN(c3cccnn3)C2)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea?
The InChIKey is FATSWZUYAHVCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-24(17-5-4-14-25(15-17)19-6-3-12-22-23-19)20(26)21-13-11-16-7-9-18(27-2)10-8-16/h3,6-10,12,17H,4-5,11,13-15H2,1-2H3,(H,21,26).
What are the key properties of 3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea?
3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea has a molecular weight of 369.47 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea is sourced from PubChem (CID 174348265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).