1-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-[[(2S)-1-methylpiperidin-2-yl]methyl]urea

C18H28FN3O2 — CID 126423894

IUPAC1-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-[[(2S)-1-methylpiperidin-2-yl]methyl]urea
SMILESCOCCN(Cc1ccccc1F)C(=O)NC[C@@H]1CCCCN1C
InChIInChI=1S/C18H28FN3O2/c1-21-10-6-5-8-16(21)13-20-18(23)22(11-12-24-2)14-15-7-3-4-9-17(15)19/h3-4,7,9,16H,5-6,8,10-14H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyGLCMUOWKSYZXMA-INIZCTEOSA-N
MW337.44 g/mol
LogP2.47
Rot. Bonds7

About 1-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-[[(2S)-1-methylpiperidin-2-yl]methyl]urea

1-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-[[(2S)-1-methylpiperidin-2-yl]methyl]urea (PubChem CID 126423894) has the molecular formula C18H28FN3O2 and a molecular weight of 337.44 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-[[(2S)-1-methylpiperidin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-[[(2S)-1-methylpiperidin-2-yl]methyl]urea
PubChem CID126423894
Molecular FormulaC18H28FN3O2
Molecular Weight337.44 g/mol
Exact Mass337.22
IUPAC Name1-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-[[(2S)-1-methylpiperidin-2-yl]methyl]urea
SMILESCOCCN(Cc1ccccc1F)C(=O)NC[C@@H]1CCCCN1C
InChIInChI=1S/C18H28FN3O2/c1-21-10-6-5-8-16(21)13-20-18(23)22(11-12-24-2)14-15-7-3-4-9-17(15)19/h3-4,7,9,16H,5-6,8,10-14H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyGLCMUOWKSYZXMA-INIZCTEOSA-N
XLogP2.47
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-[[(2S)-1-methylpiperidin-2-yl]methyl]urea with MolForge

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-1-methylazepane-2-carboxamide
CID 50980685
(2S)-N-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-1-methylazepane-2-carboxamide
CID 95144039
1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea
CID 86931400
(2S)-N-(2-methoxyethyl)-1-methyl-N-[(2-methylphenyl)methyl]azepane-2-carboxamide
CID 97205692
(3R)-N-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 97436003
N-(2-methoxyethyl)-1-methyl-N-(naphthalen-1-ylmethyl)azepane-2-carboxamide
CID 74242769
N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide
CID 119059677
tert-butyl N-[2-[(2S)-2-(benzamidomethyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)carbamate
CID 96522341
methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 116655199
benzyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 130580965
1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-[(1-methylpiperidin-2-yl)methyl]urea
CID 119071979
2-fluoro-3-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 81480197

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-[[(2S)-1-methylpiperidin-2-yl]methyl]urea?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-[[(2S)-1-methylpiperidin-2-yl]methyl]urea (CID 126423894) is 1-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-[[(2S)-1-methylpiperidin-2-yl]methyl]urea.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-[[(2S)-1-methylpiperidin-2-yl]methyl]urea?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-[[(2S)-1-methylpiperidin-2-yl]methyl]urea is COCCN(Cc1ccccc1F)C(=O)NC[C@@H]1CCCCN1C.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-[[(2S)-1-methylpiperidin-2-yl]methyl]urea?
The InChIKey is GLCMUOWKSYZXMA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28FN3O2/c1-21-10-6-5-8-16(21)13-20-18(23)22(11-12-24-2)14-15-7-3-4-9-17(15)19/h3-4,7,9,16H,5-6,8,10-14H2,1-2H3,(H,20,23)/t16-/m0/s1.
What are the key properties of 1-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-[[(2S)-1-methylpiperidin-2-yl]methyl]urea?
1-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-[[(2S)-1-methylpiperidin-2-yl]methyl]urea has a molecular weight of 337.44 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-[[(2S)-1-methylpiperidin-2-yl]methyl]urea is sourced from PubChem (CID 126423894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).