1-(4-piperidin-1-ylbutyl)-3-(4-thiophen-2-ylphenyl)urea

C20H27N3OS — CID 59152408

IUPAC1-(4-piperidin-1-ylbutyl)-3-(4-thiophen-2-ylphenyl)urea
SMILESO=C(NCCCCN1CCCCC1)Nc1ccc(-c2cccs2)cc1
InChIInChI=1S/C20H27N3OS/c24-20(21-12-2-5-15-23-13-3-1-4-14-23)22-18-10-8-17(9-11-18)19-7-6-16-25-19/h6-11,16H,1-5,12-15H2,(H2,21,22,24)
InChIKeyNEDIJQJACZGHFL-UHFFFAOYSA-N
MW357.52 g/mol
LogP4.80
Rot. Bonds7

About 1-(4-piperidin-1-ylbutyl)-3-(4-thiophen-2-ylphenyl)urea

1-(4-piperidin-1-ylbutyl)-3-(4-thiophen-2-ylphenyl)urea (PubChem CID 59152408) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylbutyl)-3-(4-thiophen-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(4-piperidin-1-ylbutyl)-3-(4-thiophen-2-ylphenyl)urea
PubChem CID59152408
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name1-(4-piperidin-1-ylbutyl)-3-(4-thiophen-2-ylphenyl)urea
SMILESO=C(NCCCCN1CCCCC1)Nc1ccc(-c2cccs2)cc1
InChIInChI=1S/C20H27N3OS/c24-20(21-12-2-5-15-23-13-3-1-4-14-23)22-18-10-8-17(9-11-18)19-7-6-16-25-19/h6-11,16H,1-5,12-15H2,(H2,21,22,24)
InChIKeyNEDIJQJACZGHFL-UHFFFAOYSA-N
XLogP4.80
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.80
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

5-piperidin-1-yl-N-(4-thiophen-2-ylphenyl)pentanamide
CID 59840354
1-(4-bromophenyl)-3-(4-piperidin-1-ylbutyl)urea
CID 46831360
1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylbutyl)urea
CID 87006985
1-(4-aminophenyl)-3-(3-pyrrolidin-1-ylpropyl)urea
CID 62991029
1-[4-(3-methoxyphenyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea
CID 143531596
1-[4-(1-aminoethyl)phenyl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 62993591
2-(3-pyrrolidin-1-ylpropylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113931
1-(4-aminophenyl)-3-(2-pyrrolidin-1-ylethyl)urea
CID 55097980
N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide
CID 143531621
1-(3-nitrophenyl)-3-(3-piperidin-1-ylpropyl)urea
CID 24626894
1-[4-(4-acetylpiperazin-1-yl)butyl]-3-[4-(2-chlorophenyl)phenyl]urea
CID 59840334
1-(4-acetylphenyl)-3-(2-piperidin-1-ylethyl)urea
CID 60797109

Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-ylbutyl)-3-(4-thiophen-2-ylphenyl)urea?
The IUPAC name of 1-(4-piperidin-1-ylbutyl)-3-(4-thiophen-2-ylphenyl)urea (CID 59152408) is 1-(4-piperidin-1-ylbutyl)-3-(4-thiophen-2-ylphenyl)urea.
What is the SMILES notation for 1-(4-piperidin-1-ylbutyl)-3-(4-thiophen-2-ylphenyl)urea?
The canonical SMILES for 1-(4-piperidin-1-ylbutyl)-3-(4-thiophen-2-ylphenyl)urea is O=C(NCCCCN1CCCCC1)Nc1ccc(-c2cccs2)cc1.
What is the InChIKey of 1-(4-piperidin-1-ylbutyl)-3-(4-thiophen-2-ylphenyl)urea?
The InChIKey is NEDIJQJACZGHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c24-20(21-12-2-5-15-23-13-3-1-4-14-23)22-18-10-8-17(9-11-18)19-7-6-16-25-19/h6-11,16H,1-5,12-15H2,(H2,21,22,24).
What are the key properties of 1-(4-piperidin-1-ylbutyl)-3-(4-thiophen-2-ylphenyl)urea?
1-(4-piperidin-1-ylbutyl)-3-(4-thiophen-2-ylphenyl)urea has a molecular weight of 357.52 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-ylbutyl)-3-(4-thiophen-2-ylphenyl)urea is sourced from PubChem (CID 59152408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).