1-acetyl-N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]piperidine-4-carboxamide

C19H25N3O3S — CID 6468788

IUPAC1-acetyl-N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)CC1
InChIInChI=1S/C19H25N3O3S/c1-11(23)22-9-7-12(8-10-22)17(24)21-19-16(18(25)20-13-5-6-13)14-3-2-4-15(14)26-19/h12-13H,2-10H2,1H3,(H,20,25)(H,21,24)
InChIKeyBDELSWUGDIFKBF-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.33
Rot. Bonds4

About 1-acetyl-N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]piperidine-4-carboxamide

1-acetyl-N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]piperidine-4-carboxamide (PubChem CID 6468788) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 1-acetyl-N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]piperidine-4-carboxamide
PubChem CID6468788
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name1-acetyl-N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)CC1
InChIInChI=1S/C19H25N3O3S/c1-11(23)22-9-7-12(8-10-22)17(24)21-19-16(18(25)20-13-5-6-13)14-3-2-4-15(14)26-19/h12-13H,2-10H2,1H3,(H,20,25)(H,21,24)
InChIKeyBDELSWUGDIFKBF-UHFFFAOYSA-N
XLogP2.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-acetyl-N-[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]piperidine-4-carboxamide
CID 6469353
ethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 6465805
2-(cyclopropanecarbonylamino)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 7475021
cis-(1S,2R)-2-[[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 27520568
N-cyclopropyl-2-(3,3-dicyclopropylprop-2-enoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 71935001
(1R,2S,3S,4R)-3-[[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98300419
N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 75368916
(2R)-N-[3-(cyclopentylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]oxolane-2-carboxamide
CID 42546248
methyl 6-acetyl-2-(cyclobutanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 43950308
6-[[3-(cyclopentylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 17377086
methyl 6-acetyl-2-(cyclopentanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 43950235
N-cyclopropyl-2-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 97009916

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]piperidine-4-carboxamide (CID 6468788) is 1-acetyl-N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)CC1.
What is the InChIKey of 1-acetyl-N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]piperidine-4-carboxamide?
The InChIKey is BDELSWUGDIFKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-11(23)22-9-7-12(8-10-22)17(24)21-19-16(18(25)20-13-5-6-13)14-3-2-4-15(14)26-19/h12-13H,2-10H2,1H3,(H,20,25)(H,21,24).
What are the key properties of 1-acetyl-N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]piperidine-4-carboxamide?
1-acetyl-N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]piperidine-4-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 6468788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).