(1-carbamoylpiperidin-3-yl) 3-(carbamoylamino)-5-(furan-3-yl)thiophene-2-carboxylate

C16H18N4O5S — CID 123147845

IUPAC(1-carbamoylpiperidin-3-yl) 3-(carbamoylamino)-5-(furan-3-yl)thiophene-2-carboxylate
SMILESNC(=O)Nc1cc(-c2ccoc2)sc1C(=O)OC1CCCN(C(N)=O)C1
InChIInChI=1S/C16H18N4O5S/c17-15(22)19-11-6-12(9-3-5-24-8-9)26-13(11)14(21)25-10-2-1-4-20(7-10)16(18)23/h3,5-6,8,10H,1-2,4,7H2,(H2,18,23)(H3,17,19,22)
InChIKeyFEWKDUJRJQBEOK-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.20
Rot. Bonds4

About (1-carbamoylpiperidin-3-yl) 3-(carbamoylamino)-5-(furan-3-yl)thiophene-2-carboxylate

(1-carbamoylpiperidin-3-yl) 3-(carbamoylamino)-5-(furan-3-yl)thiophene-2-carboxylate (PubChem CID 123147845) has the molecular formula C16H18N4O5S and a molecular weight of 378.41 g/mol. Its IUPAC name is (1-carbamoylpiperidin-3-yl) 3-(carbamoylamino)-5-(furan-3-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Name(1-carbamoylpiperidin-3-yl) 3-(carbamoylamino)-5-(furan-3-yl)thiophene-2-carboxylate
PubChem CID123147845
Molecular FormulaC16H18N4O5S
Molecular Weight378.41 g/mol
Exact Mass378.10
IUPAC Name(1-carbamoylpiperidin-3-yl) 3-(carbamoylamino)-5-(furan-3-yl)thiophene-2-carboxylate
SMILESNC(=O)Nc1cc(-c2ccoc2)sc1C(=O)OC1CCCN(C(N)=O)C1
InChIInChI=1S/C16H18N4O5S/c17-15(22)19-11-6-12(9-3-5-24-8-9)26-13(11)14(21)25-10-2-1-4-20(7-10)16(18)23/h3,5-6,8,10H,1-2,4,7H2,(H2,18,23)(H3,17,19,22)
InChIKeyFEWKDUJRJQBEOK-UHFFFAOYSA-N
XLogP2.20
TPSA140.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(1-carbamoylazepan-3-yl) 3-(carbamoylamino)-5-(3-chlorophenyl)thiophene-2-carboxylate
CID 123791072
(1-carbamoylpiperidin-3-yl) 5-(4-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]thiophene-2-carboxylate
CID 123219786
(1-carbamoylpiperidin-3-yl) 5-(4-chlorophenyl)-3-[(4-nitrophenyl)carbamoylamino]thiophene-2-carboxylate
CID 123774290
(1-carbamoylpiperidin-3-yl) 5-(4-chlorophenyl)-3-[[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]carbamoylamino]thiophene-2-carboxylate
CID 90701259
(1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-(4-chlorophenyl)thiophene-3-carboxylate
CID 91195730
(1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-ethynylthiophene-3-carboxylate
CID 90818243
(1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-(2-fluorophenyl)thiophene-3-carboxylate
CID 123686220
(1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-[3-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxylate
CID 123834232
(1-carbamoylpiperidin-3-yl) 4-(carbamoylamino)-2-methylsulfanyl-1,3-thiazole-5-carboxylate
CID 90761027
(1-carbamoylazepan-3-yl) 2-(carbamoylamino)-5-(3-fluorophenyl)thiophene-3-carboxylate
CID 90793053
(1-carbamoylpiperidin-3-yl) carbamate
CID 175095233
3-amino-5-(furan-3-yl)thiophene-2-carboxylic acid
CID 83034402

Frequently Asked Questions

What is the IUPAC name of (1-carbamoylpiperidin-3-yl) 3-(carbamoylamino)-5-(furan-3-yl)thiophene-2-carboxylate?
The IUPAC name of (1-carbamoylpiperidin-3-yl) 3-(carbamoylamino)-5-(furan-3-yl)thiophene-2-carboxylate (CID 123147845) is (1-carbamoylpiperidin-3-yl) 3-(carbamoylamino)-5-(furan-3-yl)thiophene-2-carboxylate.
What is the SMILES notation for (1-carbamoylpiperidin-3-yl) 3-(carbamoylamino)-5-(furan-3-yl)thiophene-2-carboxylate?
The canonical SMILES for (1-carbamoylpiperidin-3-yl) 3-(carbamoylamino)-5-(furan-3-yl)thiophene-2-carboxylate is NC(=O)Nc1cc(-c2ccoc2)sc1C(=O)OC1CCCN(C(N)=O)C1.
What is the InChIKey of (1-carbamoylpiperidin-3-yl) 3-(carbamoylamino)-5-(furan-3-yl)thiophene-2-carboxylate?
The InChIKey is FEWKDUJRJQBEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5S/c17-15(22)19-11-6-12(9-3-5-24-8-9)26-13(11)14(21)25-10-2-1-4-20(7-10)16(18)23/h3,5-6,8,10H,1-2,4,7H2,(H2,18,23)(H3,17,19,22).
What are the key properties of (1-carbamoylpiperidin-3-yl) 3-(carbamoylamino)-5-(furan-3-yl)thiophene-2-carboxylate?
(1-carbamoylpiperidin-3-yl) 3-(carbamoylamino)-5-(furan-3-yl)thiophene-2-carboxylate has a molecular weight of 378.41 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoylpiperidin-3-yl) 3-(carbamoylamino)-5-(furan-3-yl)thiophene-2-carboxylate is sourced from PubChem (CID 123147845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).