1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea

C16H25N3O2S — CID 71990557

IUPAC1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea
SMILESCC(CNC(=O)NCC(=O)N1CCCCC1)Cc1cccs1
InChIInChI=1S/C16H25N3O2S/c1-13(10-14-6-5-9-22-14)11-17-16(21)18-12-15(20)19-7-3-2-4-8-19/h5-6,9,13H,2-4,7-8,10-12H2,1H3,(H2,17,18,21)
InChIKeyBOWINHVJNACDDA-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.24
Rot. Bonds6

About 1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea

1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea (PubChem CID 71990557) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea
PubChem CID71990557
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea
SMILESCC(CNC(=O)NCC(=O)N1CCCCC1)Cc1cccs1
InChIInChI=1S/C16H25N3O2S/c1-13(10-14-6-5-9-22-14)11-17-16(21)18-12-15(20)19-7-3-2-4-8-19/h5-6,9,13H,2-4,7-8,10-12H2,1H3,(H2,17,18,21)
InChIKeyBOWINHVJNACDDA-UHFFFAOYSA-N
XLogP2.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylacetamide
CID 47143342
1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-thiophen-2-ylpropyl)urea
CID 111507839
(3S)-3-(dimethylamino)-N-[(2S)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 95967512
1-[[(3S,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea
CID 124744508
(2S)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 30740454
(2R)-2-(hydroxymethyl)-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide
CID 95967500
N-[2-oxo-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 18153023
2-methyl-1-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine
CID 111673556
2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111673923
(3S)-3-ethyl-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]morpholine-4-carboxamide
CID 95967466
3-ethyl-N-(2-methyl-3-thiophen-2-ylpropyl)morpholine-4-carboxamide
CID 71867990
4-oxo-4-pyrrolidin-1-yl-2-(thiophen-2-ylmethyl)butanoic acid
CID 82160128

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea?
The IUPAC name of 1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea (CID 71990557) is 1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea.
What is the SMILES notation for 1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea?
The canonical SMILES for 1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea is CC(CNC(=O)NCC(=O)N1CCCCC1)Cc1cccs1.
What is the InChIKey of 1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea?
The InChIKey is BOWINHVJNACDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-13(10-14-6-5-9-22-14)11-17-16(21)18-12-15(20)19-7-3-2-4-8-19/h5-6,9,13H,2-4,7-8,10-12H2,1H3,(H2,17,18,21).
What are the key properties of 1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea?
1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea has a molecular weight of 323.46 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea is sourced from PubChem (CID 71990557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).