1-[1-(4,8-dimethoxynaphthalen-1-yl)ethyl]-3-(1-ethylpiperidin-4-yl)urea

C22H31N3O3 — CID 126736383

IUPAC1-[1-(4,8-dimethoxynaphthalen-1-yl)ethyl]-3-(1-ethylpiperidin-4-yl)urea
SMILESCCN1CCC(NC(=O)NC(C)c2ccc(OC)c3cccc(OC)c23)CC1
InChIInChI=1S/C22H31N3O3/c1-5-25-13-11-16(12-14-25)24-22(26)23-15(2)17-9-10-19(27-3)18-7-6-8-20(28-4)21(17)18/h6-10,15-16H,5,11-14H2,1-4H3,(H2,23,24,26)
InChIKeyPYUHKPRMCVGOEH-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.70
Rot. Bonds6

About 1-[1-(4,8-dimethoxynaphthalen-1-yl)ethyl]-3-(1-ethylpiperidin-4-yl)urea

1-[1-(4,8-dimethoxynaphthalen-1-yl)ethyl]-3-(1-ethylpiperidin-4-yl)urea (PubChem CID 126736383) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-[1-(4,8-dimethoxynaphthalen-1-yl)ethyl]-3-(1-ethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[1-(4,8-dimethoxynaphthalen-1-yl)ethyl]-3-(1-ethylpiperidin-4-yl)urea
PubChem CID126736383
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name1-[1-(4,8-dimethoxynaphthalen-1-yl)ethyl]-3-(1-ethylpiperidin-4-yl)urea
SMILESCCN1CCC(NC(=O)NC(C)c2ccc(OC)c3cccc(OC)c23)CC1
InChIInChI=1S/C22H31N3O3/c1-5-25-13-11-16(12-14-25)24-22(26)23-15(2)17-9-10-19(27-3)18-7-6-8-20(28-4)21(17)18/h6-10,15-16H,5,11-14H2,1-4H3,(H2,23,24,26)
InChIKeyPYUHKPRMCVGOEH-UHFFFAOYSA-N
XLogP3.70
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpiperidin-4-yl)-3-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 166532114
1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(5-fluoro-2-methoxyphenyl)ethyl]urea
CID 51127813
2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 78897328
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 55746439
1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 42928160
2-methoxy-N-[1-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55979600
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(4-phenylbutan-2-yl)urea
CID 55909734
1-[1-(1-benzothiophen-3-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 154834545
1-(1-ethylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)urea
CID 51081933
1-(1-ethylpiperidin-4-yl)-3-[(R)-phenyl(pyridin-4-yl)methyl]urea
CID 95571044
methyl (2S,3R)-2-[(1-benzylpiperidin-4-yl)carbamoylamino]-3-methylpentanoate
CID 7529321
N-cyclohexyl-4-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide
CID 112820092

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,8-dimethoxynaphthalen-1-yl)ethyl]-3-(1-ethylpiperidin-4-yl)urea?
The IUPAC name of 1-[1-(4,8-dimethoxynaphthalen-1-yl)ethyl]-3-(1-ethylpiperidin-4-yl)urea (CID 126736383) is 1-[1-(4,8-dimethoxynaphthalen-1-yl)ethyl]-3-(1-ethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[1-(4,8-dimethoxynaphthalen-1-yl)ethyl]-3-(1-ethylpiperidin-4-yl)urea?
The canonical SMILES for 1-[1-(4,8-dimethoxynaphthalen-1-yl)ethyl]-3-(1-ethylpiperidin-4-yl)urea is CCN1CCC(NC(=O)NC(C)c2ccc(OC)c3cccc(OC)c23)CC1.
What is the InChIKey of 1-[1-(4,8-dimethoxynaphthalen-1-yl)ethyl]-3-(1-ethylpiperidin-4-yl)urea?
The InChIKey is PYUHKPRMCVGOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-5-25-13-11-16(12-14-25)24-22(26)23-15(2)17-9-10-19(27-3)18-7-6-8-20(28-4)21(17)18/h6-10,15-16H,5,11-14H2,1-4H3,(H2,23,24,26).
What are the key properties of 1-[1-(4,8-dimethoxynaphthalen-1-yl)ethyl]-3-(1-ethylpiperidin-4-yl)urea?
1-[1-(4,8-dimethoxynaphthalen-1-yl)ethyl]-3-(1-ethylpiperidin-4-yl)urea has a molecular weight of 385.51 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,8-dimethoxynaphthalen-1-yl)ethyl]-3-(1-ethylpiperidin-4-yl)urea is sourced from PubChem (CID 126736383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).