1-(3-fluoro-4-methoxyphenyl)-3-[4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]urea

C32H34FN3O4 — CID 169040107

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-[4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]urea
SMILESCOc1ccc(NC(=O)Nc2ccc(OCc3ccc(OCCN4CCCCC4)cc3)c3ccccc23)cc1F
InChIInChI=1S/C32H34FN3O4/c1-38-31-15-11-24(21-28(31)33)34-32(37)35-29-14-16-30(27-8-4-3-7-26(27)29)40-22-23-9-12-25(13-10-23)39-20-19-36-17-5-2-6-18-36/h3-4,7-16,21H,2,5-6,17-20,22H2,1H3,(H2,34,35,37)
InChIKeyRICXWTZCRIKDHB-UHFFFAOYSA-N
MW543.64 g/mol
LogP7.08
Rot. Bonds10

About 1-(3-fluoro-4-methoxyphenyl)-3-[4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]urea

1-(3-fluoro-4-methoxyphenyl)-3-[4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]urea (PubChem CID 169040107) has the molecular formula C32H34FN3O4 and a molecular weight of 543.64 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-3-[4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]urea.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-[4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]urea
PubChem CID169040107
Molecular FormulaC32H34FN3O4
Molecular Weight543.64 g/mol
Exact Mass543.25
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-[4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]urea
SMILESCOc1ccc(NC(=O)Nc2ccc(OCc3ccc(OCCN4CCCCC4)cc3)c3ccccc23)cc1F
InChIInChI=1S/C32H34FN3O4/c1-38-31-15-11-24(21-28(31)33)34-32(37)35-29-14-16-30(27-8-4-3-7-26(27)29)40-22-23-9-12-25(13-10-23)39-20-19-36-17-5-2-6-18-36/h3-4,7-16,21H,2,5-6,17-20,22H2,1H3,(H2,34,35,37)
InChIKeyRICXWTZCRIKDHB-UHFFFAOYSA-N
XLogP7.08
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.64
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-fluoro-4-methoxyphenyl)-3-[4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]urea with MolForge

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Related Compounds

1-(3,4-dichlorophenyl)-3-[4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]urea
CID 169040104
3,4-dimethoxy-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide
CID 3078820
N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-phenylmethoxyphenyl)benzamide
CID 141425677
1-[5-tert-butyl-3-(2-pyrrolidin-1-ylethyl)-1-benzofuran-7-yl]-3-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]urea
CID 18384063
N-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide
CID 122218723
1-[2-methyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]-3-(pyridin-2-ylmethyl)urea
CID 169302239
4-methoxy-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylmethoxybenzamide
CID 141436173
1-(2,5-dimethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17174383
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(3-fluoro-4-phenylmethoxyphenyl)-3-methylindole
CID 90967728
N-[[3-fluoro-4-[6-methoxy-7-(4-piperidin-1-ylbutoxy)quinolin-4-yl]oxyphenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 59791979
1-[4-[6-methoxy-2-methyl-7-(2-piperidin-1-ylethoxy)quinolin-3-yl]oxyphenyl]-3-phenylurea
CID 166450521
4-[[[4-(2-piperidin-1-ylethoxy)phenyl]carbamoylamino]methyl]benzoic acid
CID 122087184

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-[4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]urea?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-[4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]urea (CID 169040107) is 1-(3-fluoro-4-methoxyphenyl)-3-[4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]urea.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-[4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]urea?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-[4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]urea is COc1ccc(NC(=O)Nc2ccc(OCc3ccc(OCCN4CCCCC4)cc3)c3ccccc23)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-[4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]urea?
The InChIKey is RICXWTZCRIKDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN3O4/c1-38-31-15-11-24(21-28(31)33)34-32(37)35-29-14-16-30(27-8-4-3-7-26(27)29)40-22-23-9-12-25(13-10-23)39-20-19-36-17-5-2-6-18-36/h3-4,7-16,21H,2,5-6,17-20,22H2,1H3,(H2,34,35,37).
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-3-[4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]urea?
1-(3-fluoro-4-methoxyphenyl)-3-[4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]urea has a molecular weight of 543.64 g/mol, XLogP of 7.08, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-3-[4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]urea is sourced from PubChem (CID 169040107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).