1-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(2-oxopiperidin-3-yl)urea

C15H20BrN3O2S — CID 154745564

IUPAC1-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(2-oxopiperidin-3-yl)urea
SMILESO=C(NCC1(c2ccc(Br)s2)CCC1)NC1CCCNC1=O
InChIInChI=1S/C15H20BrN3O2S/c16-12-5-4-11(22-12)15(6-2-7-15)9-18-14(21)19-10-3-1-8-17-13(10)20/h4-5,10H,1-3,6-9H2,(H,17,20)(H2,18,19,21)
InChIKeyNKYLOEVXYIGNRO-UHFFFAOYSA-N
MW386.32 g/mol
LogP2.51
Rot. Bonds4

About 1-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(2-oxopiperidin-3-yl)urea

1-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(2-oxopiperidin-3-yl)urea (PubChem CID 154745564) has the molecular formula C15H20BrN3O2S and a molecular weight of 386.32 g/mol. Its IUPAC name is 1-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(2-oxopiperidin-3-yl)urea.

Molecular Properties

Compound Name1-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(2-oxopiperidin-3-yl)urea
PubChem CID154745564
Molecular FormulaC15H20BrN3O2S
Molecular Weight386.32 g/mol
Exact Mass385.05
IUPAC Name1-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(2-oxopiperidin-3-yl)urea
SMILESO=C(NCC1(c2ccc(Br)s2)CCC1)NC1CCCNC1=O
InChIInChI=1S/C15H20BrN3O2S/c16-12-5-4-11(22-12)15(6-2-7-15)9-18-14(21)19-10-3-1-8-17-13(10)20/h4-5,10H,1-3,6-9H2,(H,17,20)(H2,18,19,21)
InChIKeyNKYLOEVXYIGNRO-UHFFFAOYSA-N
XLogP2.51
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-oxopiperidin-3-yl)thiophene-2-carboxamide
CID 49149527
1-[(5-bromothiophen-3-yl)methyl]-3-[(3R)-2-oxoazepan-3-yl]urea
CID 94058453
N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 138999740
2-amino-N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]bicyclo[4.1.0]heptane-2-carboxamide
CID 166384703
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea
CID 96996716
1-cyclohexyl-3-(2-oxopiperidin-3-yl)urea
CID 110472697
1-(2-bromoprop-2-enyl)-3-[(3S)-2-oxoazepan-3-yl]urea
CID 94221416
2-methyl-4-[(2-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 80541957
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
N-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide
CID 107027904
1-amino-N-(2-oxopiperidin-3-yl)cyclopropane-1-carboxamide
CID 65466237
1-[(3R)-2-oxopiperidin-3-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
CID 96990226

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(2-oxopiperidin-3-yl)urea?
The IUPAC name of 1-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(2-oxopiperidin-3-yl)urea (CID 154745564) is 1-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(2-oxopiperidin-3-yl)urea.
What is the SMILES notation for 1-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(2-oxopiperidin-3-yl)urea?
The canonical SMILES for 1-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(2-oxopiperidin-3-yl)urea is O=C(NCC1(c2ccc(Br)s2)CCC1)NC1CCCNC1=O.
What is the InChIKey of 1-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(2-oxopiperidin-3-yl)urea?
The InChIKey is NKYLOEVXYIGNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2S/c16-12-5-4-11(22-12)15(6-2-7-15)9-18-14(21)19-10-3-1-8-17-13(10)20/h4-5,10H,1-3,6-9H2,(H,17,20)(H2,18,19,21).
What are the key properties of 1-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(2-oxopiperidin-3-yl)urea?
1-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(2-oxopiperidin-3-yl)urea has a molecular weight of 386.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(2-oxopiperidin-3-yl)urea is sourced from PubChem (CID 154745564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).