1-[4-(3-methoxyphenyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea

C22H29N3O2 — CID 143531596

IUPAC1-[4-(3-methoxyphenyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea
SMILESCOc1cccc(-c2ccc(NC(=O)NCCCN3CCCCC3)cc2)c1
InChIInChI=1S/C22H29N3O2/c1-27-21-8-5-7-19(17-21)18-9-11-20(12-10-18)24-22(26)23-13-6-16-25-14-3-2-4-15-25/h5,7-12,17H,2-4,6,13-16H2,1H3,(H2,23,24,26)
InChIKeyXARSVEXNVHYMHB-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.36
Rot. Bonds7

About 1-[4-(3-methoxyphenyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea

1-[4-(3-methoxyphenyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea (PubChem CID 143531596) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea
PubChem CID143531596
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-[4-(3-methoxyphenyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea
SMILESCOc1cccc(-c2ccc(NC(=O)NCCCN3CCCCC3)cc2)c1
InChIInChI=1S/C22H29N3O2/c1-27-21-8-5-7-19(17-21)18-9-11-20(12-10-18)24-22(26)23-13-6-16-25-14-3-2-4-15-25/h5,7-12,17H,2-4,6,13-16H2,1H3,(H2,23,24,26)
InChIKeyXARSVEXNVHYMHB-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
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

N-[4-(3-methoxyphenyl)phenyl]-5-pyrrolidin-1-ylpentanamide
CID 59840445
5-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)phenyl]pentanamide
CID 59840403
N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide
CID 143531621
1-(4-fluorophenyl)-3-[3-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]propyl]urea
CID 22393448
1-(4-piperidin-1-ylbutyl)-3-(4-thiophen-2-ylphenyl)urea
CID 59152408
1-(3-nitrophenyl)-3-(3-piperidin-1-ylpropyl)urea
CID 24626894
1-(4-aminophenyl)-3-(3-pyrrolidin-1-ylpropyl)urea
CID 62991029
1-[4-(1-aminoethyl)phenyl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 62993591
1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-[4-[3-(prop-1-en-2-ylamino)phenyl]phenyl]urea
CID 59840365
1-(4-bromophenyl)-3-(4-piperidin-1-ylbutyl)urea
CID 46831360
1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylbutyl)urea
CID 87006985
N-[3-[3-fluoro-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide
CID 143531645

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea?
The IUPAC name of 1-[4-(3-methoxyphenyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea (CID 143531596) is 1-[4-(3-methoxyphenyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea?
The canonical SMILES for 1-[4-(3-methoxyphenyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea is COc1cccc(-c2ccc(NC(=O)NCCCN3CCCCC3)cc2)c1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea?
The InChIKey is XARSVEXNVHYMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-27-21-8-5-7-19(17-21)18-9-11-20(12-10-18)24-22(26)23-13-6-16-25-14-3-2-4-15-25/h5,7-12,17H,2-4,6,13-16H2,1H3,(H2,23,24,26).
What are the key properties of 1-[4-(3-methoxyphenyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea?
1-[4-(3-methoxyphenyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea has a molecular weight of 367.49 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea is sourced from PubChem (CID 143531596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).