1-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-phenylpropyl)urea

C22H29N3O2 — CID 72840637

IUPAC1-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-phenylpropyl)urea
SMILESCN1CCC(Oc2ccc(NC(=O)NCCCc3ccccc3)cc2)CC1
InChIInChI=1S/C22H29N3O2/c1-25-16-13-21(14-17-25)27-20-11-9-19(10-12-20)24-22(26)23-15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12,21H,5,8,13-17H2,1H3,(H2,23,24,26)
InChIKeyFVEKHXOUPUIHDS-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.91
Rot. Bonds7

About 1-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-phenylpropyl)urea

1-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-phenylpropyl)urea (PubChem CID 72840637) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-phenylpropyl)urea
PubChem CID72840637
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-phenylpropyl)urea
SMILESCN1CCC(Oc2ccc(NC(=O)NCCCc3ccccc3)cc2)CC1
InChIInChI=1S/C22H29N3O2/c1-25-16-13-21(14-17-25)27-20-11-9-19(10-12-20)24-22(26)23-15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12,21H,5,8,13-17H2,1H3,(H2,23,24,26)
InChIKeyFVEKHXOUPUIHDS-UHFFFAOYSA-N
XLogP3.91
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea
CID 50875367
1-[2-(4-fluorophenoxy)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
CID 72924084
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
CID 72860951
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide
CID 25395722
5-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopentanoic acid
CID 131939316
2-(1-benzylpiperidin-4-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 131948813
1-(4-phenylphenyl)-3-(3-phenylpropyl)urea
CID 108867243
N'-methyl-4-phenoxy-N-(3-phenylpropyl)piperidine-1-carboximidamide
CID 109427767
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide
CID 118063757
1-(4-tert-butylphenyl)-3-(3-phenylpropyl)urea
CID 108884934
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-phenylethyl)urea
CID 108888081
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
CID 118792906

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-phenylpropyl)urea?
The IUPAC name of 1-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-phenylpropyl)urea (CID 72840637) is 1-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-phenylpropyl)urea is CN1CCC(Oc2ccc(NC(=O)NCCCc3ccccc3)cc2)CC1.
What is the InChIKey of 1-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-phenylpropyl)urea?
The InChIKey is FVEKHXOUPUIHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-25-16-13-21(14-17-25)27-20-11-9-19(10-12-20)24-22(26)23-15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12,21H,5,8,13-17H2,1H3,(H2,23,24,26).
What are the key properties of 1-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-phenylpropyl)urea?
1-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-phenylpropyl)urea has a molecular weight of 367.49 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-phenylpropyl)urea is sourced from PubChem (CID 72840637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).