1-(4-methylphenyl)-3-(2-piperidin-1-yl-2-thiophen-3-ylethyl)urea

C19H25N3OS — CID 16931316

IUPAC1-(4-methylphenyl)-3-(2-piperidin-1-yl-2-thiophen-3-ylethyl)urea
SMILESCc1ccc(NC(=O)NCC(c2ccsc2)N2CCCCC2)cc1
InChIInChI=1S/C19H25N3OS/c1-15-5-7-17(8-6-15)21-19(23)20-13-18(16-9-12-24-14-16)22-10-3-2-4-11-22/h5-9,12,14,18H,2-4,10-11,13H2,1H3,(H2,20,21,23)
InChIKeyQCRZGWVAXMMLCS-UHFFFAOYSA-N
MW343.50 g/mol
LogP4.41
Rot. Bonds5

About 1-(4-methylphenyl)-3-(2-piperidin-1-yl-2-thiophen-3-ylethyl)urea

1-(4-methylphenyl)-3-(2-piperidin-1-yl-2-thiophen-3-ylethyl)urea (PubChem CID 16931316) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(2-piperidin-1-yl-2-thiophen-3-ylethyl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(2-piperidin-1-yl-2-thiophen-3-ylethyl)urea
PubChem CID16931316
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name1-(4-methylphenyl)-3-(2-piperidin-1-yl-2-thiophen-3-ylethyl)urea
SMILESCc1ccc(NC(=O)NCC(c2ccsc2)N2CCCCC2)cc1
InChIInChI=1S/C19H25N3OS/c1-15-5-7-17(8-6-15)21-19(23)20-13-18(16-9-12-24-14-16)22-10-3-2-4-11-22/h5-9,12,14,18H,2-4,10-11,13H2,1H3,(H2,20,21,23)
InChIKeyQCRZGWVAXMMLCS-UHFFFAOYSA-N
XLogP4.41
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]urea
CID 42551596
1-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 30606381
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(3,5-dimethylphenyl)oxamide
CID 16932538
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methylphenoxy)acetamide
CID 16931891
1-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-3-(2-methylphenyl)urea
CID 100691485
N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)propanamide
CID 16931322
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 16932607
2-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)propanamide
CID 16931597
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-propan-2-yloxamide
CID 16932587
N'-(4-nitrophenyl)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide
CID 16932143
N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)cyclohexanecarboxamide
CID 16931542
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-methylphenyl)oxamide
CID 16932603

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(2-piperidin-1-yl-2-thiophen-3-ylethyl)urea?
The IUPAC name of 1-(4-methylphenyl)-3-(2-piperidin-1-yl-2-thiophen-3-ylethyl)urea (CID 16931316) is 1-(4-methylphenyl)-3-(2-piperidin-1-yl-2-thiophen-3-ylethyl)urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-(2-piperidin-1-yl-2-thiophen-3-ylethyl)urea?
The canonical SMILES for 1-(4-methylphenyl)-3-(2-piperidin-1-yl-2-thiophen-3-ylethyl)urea is Cc1ccc(NC(=O)NCC(c2ccsc2)N2CCCCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(2-piperidin-1-yl-2-thiophen-3-ylethyl)urea?
The InChIKey is QCRZGWVAXMMLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-15-5-7-17(8-6-15)21-19(23)20-13-18(16-9-12-24-14-16)22-10-3-2-4-11-22/h5-9,12,14,18H,2-4,10-11,13H2,1H3,(H2,20,21,23).
What are the key properties of 1-(4-methylphenyl)-3-(2-piperidin-1-yl-2-thiophen-3-ylethyl)urea?
1-(4-methylphenyl)-3-(2-piperidin-1-yl-2-thiophen-3-ylethyl)urea has a molecular weight of 343.50 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(2-piperidin-1-yl-2-thiophen-3-ylethyl)urea is sourced from PubChem (CID 16931316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).