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

C18H19FN4O4S — CID 123686220

IUPAC(1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-(2-fluorophenyl)thiophene-3-carboxylate
SMILESNC(=O)Nc1sc(-c2ccccc2F)cc1C(=O)OC1CCCN(C(N)=O)C1
InChIInChI=1S/C18H19FN4O4S/c19-13-6-2-1-5-11(13)14-8-12(15(28-14)22-17(20)25)16(24)27-10-4-3-7-23(9-10)18(21)26/h1-2,5-6,8,10H,3-4,7,9H2,(H2,21,26)(H3,20,22,25)
InChIKeyRPFNFKDDHHAARX-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.74
Rot. Bonds4

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

(1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-(2-fluorophenyl)thiophene-3-carboxylate (PubChem CID 123686220) has the molecular formula C18H19FN4O4S and a molecular weight of 406.44 g/mol. Its IUPAC name is (1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-(2-fluorophenyl)thiophene-3-carboxylate.

Molecular Properties

Compound Name(1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-(2-fluorophenyl)thiophene-3-carboxylate
PubChem CID123686220
Molecular FormulaC18H19FN4O4S
Molecular Weight406.44 g/mol
Exact Mass406.11
IUPAC Name(1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-(2-fluorophenyl)thiophene-3-carboxylate
SMILESNC(=O)Nc1sc(-c2ccccc2F)cc1C(=O)OC1CCCN(C(N)=O)C1
InChIInChI=1S/C18H19FN4O4S/c19-13-6-2-1-5-11(13)14-8-12(15(28-14)22-17(20)25)16(24)27-10-4-3-7-23(9-10)18(21)26/h1-2,5-6,8,10H,3-4,7,9H2,(H2,21,26)(H3,20,22,25)
InChIKeyRPFNFKDDHHAARX-UHFFFAOYSA-N
XLogP2.74
TPSA127.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-(4-chlorophenyl)thiophene-3-carboxylate
CID 91195730
(1-carbamoylazepan-3-yl) 2-(carbamoylamino)-5-(3-fluorophenyl)thiophene-3-carboxylate
CID 90793053
(1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-[3-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxylate
CID 123834232
(1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-ethynylthiophene-3-carboxylate
CID 90818243
(1-carbamoylazepan-3-yl) 5-(4-fluorophenyl)-2-(pyrazin-2-ylcarbamoylamino)thiophene-3-carboxylate
CID 91251776
(1-carbamoylpiperidin-3-yl) 3-(carbamoylamino)-5-(furan-3-yl)thiophene-2-carboxylate
CID 123147845
(1-carbamoylazepan-3-yl) 2-(pyrazin-2-ylcarbamoylamino)-5-(1H-pyrrol-2-yl)thiophene-3-carboxylate
CID 91429533
(1-carbamoylazepan-3-yl) 3-(carbamoylamino)-5-(3-chlorophenyl)thiophene-2-carboxylate
CID 123791072
(1-carbamoylpiperidin-3-yl) 4-(carbamoylamino)-2-methylsulfanyl-1,3-thiazole-5-carboxylate
CID 90761027
2-(carbamoylamino)-5-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]thiophene-3-carboxamide
CID 67214997
2-(carbamoylamino)-5-(2-fluoro-4-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 67077654
(1-carbamoylpiperidin-3-yl) carbamate
CID 175095233

Frequently Asked Questions

What is the IUPAC name of (1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-(2-fluorophenyl)thiophene-3-carboxylate?
The IUPAC name of (1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-(2-fluorophenyl)thiophene-3-carboxylate (CID 123686220) is (1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-(2-fluorophenyl)thiophene-3-carboxylate.
What is the SMILES notation for (1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-(2-fluorophenyl)thiophene-3-carboxylate?
The canonical SMILES for (1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-(2-fluorophenyl)thiophene-3-carboxylate is NC(=O)Nc1sc(-c2ccccc2F)cc1C(=O)OC1CCCN(C(N)=O)C1.
What is the InChIKey of (1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-(2-fluorophenyl)thiophene-3-carboxylate?
The InChIKey is RPFNFKDDHHAARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O4S/c19-13-6-2-1-5-11(13)14-8-12(15(28-14)22-17(20)25)16(24)27-10-4-3-7-23(9-10)18(21)26/h1-2,5-6,8,10H,3-4,7,9H2,(H2,21,26)(H3,20,22,25).
What are the key properties of (1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-(2-fluorophenyl)thiophene-3-carboxylate?
(1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-(2-fluorophenyl)thiophene-3-carboxylate has a molecular weight of 406.44 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-(2-fluorophenyl)thiophene-3-carboxylate is sourced from PubChem (CID 123686220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).