1-(4-piperidin-1-ylphenyl)-3-thiophen-2-ylurea

C16H19N3OS — CID 108889200

IUPAC1-(4-piperidin-1-ylphenyl)-3-thiophen-2-ylurea
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)Nc1cccs1
InChIInChI=1S/C16H19N3OS/c20-16(18-15-5-4-12-21-15)17-13-6-8-14(9-7-13)19-10-2-1-3-11-19/h4-9,12H,1-3,10-11H2,(H2,17,18,20)
InChIKeyDQOGTOPGXUUGAH-UHFFFAOYSA-N
MW301.42 g/mol
LogP4.38
Rot. Bonds3

About 1-(4-piperidin-1-ylphenyl)-3-thiophen-2-ylurea

1-(4-piperidin-1-ylphenyl)-3-thiophen-2-ylurea (PubChem CID 108889200) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylphenyl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(4-piperidin-1-ylphenyl)-3-thiophen-2-ylurea
PubChem CID108889200
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name1-(4-piperidin-1-ylphenyl)-3-thiophen-2-ylurea
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)Nc1cccs1
InChIInChI=1S/C16H19N3OS/c20-16(18-15-5-4-12-21-15)17-13-6-8-14(9-7-13)19-10-2-1-3-11-19/h4-9,12H,1-3,10-11H2,(H2,17,18,20)
InChIKeyDQOGTOPGXUUGAH-UHFFFAOYSA-N
XLogP4.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-3-thiophen-2-ylurea
CID 122354873
1-(4-piperidin-1-ylphenyl)-3-pyridin-4-ylurea
CID 110706498
1-(4-hydroxyphenyl)-3-thiophen-2-ylurea
CID 108889117
1-(4-bromophenyl)-3-thiophen-2-ylurea
CID 108889102
1-(3,5-dichlorophenyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108992520
1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108992265
1-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-3-thiophen-2-ylurea
CID 43991871
1-ethyl-3-(4-piperidin-1-ylphenyl)urea
CID 108890460
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465
N-(4-pyrrolidin-1-ylphenyl)azepane-1-carboxamide
CID 108991070
N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
CID 110862156
3-amino-N-(4-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 61110951

Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-ylphenyl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(4-piperidin-1-ylphenyl)-3-thiophen-2-ylurea (CID 108889200) is 1-(4-piperidin-1-ylphenyl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(4-piperidin-1-ylphenyl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(4-piperidin-1-ylphenyl)-3-thiophen-2-ylurea is O=C(Nc1ccc(N2CCCCC2)cc1)Nc1cccs1.
What is the InChIKey of 1-(4-piperidin-1-ylphenyl)-3-thiophen-2-ylurea?
The InChIKey is DQOGTOPGXUUGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-16(18-15-5-4-12-21-15)17-13-6-8-14(9-7-13)19-10-2-1-3-11-19/h4-9,12H,1-3,10-11H2,(H2,17,18,20).
What are the key properties of 1-(4-piperidin-1-ylphenyl)-3-thiophen-2-ylurea?
1-(4-piperidin-1-ylphenyl)-3-thiophen-2-ylurea has a molecular weight of 301.42 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-ylphenyl)-3-thiophen-2-ylurea is sourced from PubChem (CID 108889200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).