1-(3-methoxy-4-piperidin-1-ylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea

C24H26N4O3 — CID 10387293

IUPAC1-(3-methoxy-4-piperidin-1-ylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)ccc1N1CCCCC1
InChIInChI=1S/C24H26N4O3/c1-30-23-17-19(7-10-22(23)28-15-3-2-4-16-28)27-24(29)26-18-5-8-20(9-6-18)31-21-11-13-25-14-12-21/h5-14,17H,2-4,15-16H2,1H3,(H2,26,27,29)
InChIKeyGAQFLTSFWJRYAK-UHFFFAOYSA-N
MW418.50 g/mol
LogP5.52
Rot. Bonds6

About 1-(3-methoxy-4-piperidin-1-ylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea

1-(3-methoxy-4-piperidin-1-ylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea (PubChem CID 10387293) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-(3-methoxy-4-piperidin-1-ylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea.

Molecular Properties

Compound Name1-(3-methoxy-4-piperidin-1-ylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea
PubChem CID10387293
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name1-(3-methoxy-4-piperidin-1-ylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)ccc1N1CCCCC1
InChIInChI=1S/C24H26N4O3/c1-30-23-17-19(7-10-22(23)28-15-3-2-4-16-28)27-24(29)26-18-5-8-20(9-6-18)31-21-11-13-25-14-12-21/h5-14,17H,2-4,15-16H2,1H3,(H2,26,27,29)
InChIKeyGAQFLTSFWJRYAK-UHFFFAOYSA-N
XLogP5.52
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

dimethyl (E)-2-(3-methoxy-4-piperidin-1-ylanilino)but-2-enedioate
CID 168569840
1-(4-piperidin-1-ylphenyl)-3-pyridin-4-ylurea
CID 110706498
2-(3-methoxy-4-piperidin-1-ylanilino)ethene-1,1,2-tricarbonitrile
CID 168607889
1-(4-methoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544748
4-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 3338318
N-cyclopropyl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065604
1-(4-methoxyphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea
CID 122298472
1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-methoxyphenyl)urea
CID 122356489
N-butan-2-yl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 42756297
4-fluoro-N-[3-[(4-methoxyphenyl)carbamoylamino]-4-pyrrolidin-1-ylphenyl]benzamide
CID 46326630
1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]urea
CID 1064665
1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]-3-(4-methylsulfanylphenyl)urea
CID 42660031

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-piperidin-1-ylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea?
The IUPAC name of 1-(3-methoxy-4-piperidin-1-ylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea (CID 10387293) is 1-(3-methoxy-4-piperidin-1-ylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea.
What is the SMILES notation for 1-(3-methoxy-4-piperidin-1-ylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea?
The canonical SMILES for 1-(3-methoxy-4-piperidin-1-ylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea is COc1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)ccc1N1CCCCC1.
What is the InChIKey of 1-(3-methoxy-4-piperidin-1-ylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea?
The InChIKey is GAQFLTSFWJRYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-30-23-17-19(7-10-22(23)28-15-3-2-4-16-28)27-24(29)26-18-5-8-20(9-6-18)31-21-11-13-25-14-12-21/h5-14,17H,2-4,15-16H2,1H3,(H2,26,27,29).
What are the key properties of 1-(3-methoxy-4-piperidin-1-ylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea?
1-(3-methoxy-4-piperidin-1-ylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea has a molecular weight of 418.50 g/mol, XLogP of 5.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-piperidin-1-ylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea is sourced from PubChem (CID 10387293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).