[1-(carbamoylamino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate

C15H19N3O5S — CID 55557016

IUPAC[1-(carbamoylamino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
SMILESCC(OC(=O)C1CCCN(C(=O)c2cccs2)C1)C(=O)NC(N)=O
InChIInChI=1S/C15H19N3O5S/c1-9(12(19)17-15(16)22)23-14(21)10-4-2-6-18(8-10)13(20)11-5-3-7-24-11/h3,5,7,9-10H,2,4,6,8H2,1H3,(H3,16,17,19,22)
InChIKeyFFEWSHOPAXTXOU-UHFFFAOYSA-N
MW353.40 g/mol
LogP0.73
Rot. Bonds4

About [1-(carbamoylamino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate

[1-(carbamoylamino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate (PubChem CID 55557016) has the molecular formula C15H19N3O5S and a molecular weight of 353.40 g/mol. Its IUPAC name is [1-(carbamoylamino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name[1-(carbamoylamino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
PubChem CID55557016
Molecular FormulaC15H19N3O5S
Molecular Weight353.40 g/mol
Exact Mass353.10
IUPAC Name[1-(carbamoylamino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
SMILESCC(OC(=O)C1CCCN(C(=O)c2cccs2)C1)C(=O)NC(N)=O
InChIInChI=1S/C15H19N3O5S/c1-9(12(19)17-15(16)22)23-14(21)10-4-2-6-18(8-10)13(20)11-5-3-7-24-11/h3,5,7,9-10H,2,4,6,8H2,1H3,(H3,16,17,19,22)
InChIKeyFFEWSHOPAXTXOU-UHFFFAOYSA-N
XLogP0.73
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 9307296
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
N-(dicyclopropylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43057486
ethyl 1-[1-(thiophene-2-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate
CID 90510988
[2-(cyclooctylamino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55556918
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
(3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 97013445
(3S)-N-[2-[di(propan-2-yl)amino]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30783507
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55555855
N-(4-propan-2-ylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946825
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 8697870
N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053418

Frequently Asked Questions

What is the IUPAC name of [1-(carbamoylamino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate?
The IUPAC name of [1-(carbamoylamino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate (CID 55557016) is [1-(carbamoylamino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for [1-(carbamoylamino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for [1-(carbamoylamino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate is CC(OC(=O)C1CCCN(C(=O)c2cccs2)C1)C(=O)NC(N)=O.
What is the InChIKey of [1-(carbamoylamino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate?
The InChIKey is FFEWSHOPAXTXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5S/c1-9(12(19)17-15(16)22)23-14(21)10-4-2-6-18(8-10)13(20)11-5-3-7-24-11/h3,5,7,9-10H,2,4,6,8H2,1H3,(H3,16,17,19,22).
What are the key properties of [1-(carbamoylamino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate?
[1-(carbamoylamino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate has a molecular weight of 353.40 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(carbamoylamino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 55557016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).