N-cyclopropyl-N-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidine-3-carboxamide

C18H22N2O2S2 — CID 91950476

IUPACN-cyclopropyl-N-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidine-3-carboxamide
SMILESCCc1cc2cc(C(=O)N(C(=O)C3CCCNC3)C3CC3)sc2s1
InChIInChI=1S/C18H22N2O2S2/c1-2-14-8-12-9-15(24-18(12)23-14)17(22)20(13-5-6-13)16(21)11-4-3-7-19-10-11/h8-9,11,13,19H,2-7,10H2,1H3
InChIKeyDUYKUBHGPGMOAL-UHFFFAOYSA-N
MW362.52 g/mol
LogP3.66
Rot. Bonds4

About N-cyclopropyl-N-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidine-3-carboxamide

N-cyclopropyl-N-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidine-3-carboxamide (PubChem CID 91950476) has the molecular formula C18H22N2O2S2 and a molecular weight of 362.52 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidine-3-carboxamide
PubChem CID91950476
Molecular FormulaC18H22N2O2S2
Molecular Weight362.52 g/mol
Exact Mass362.11
IUPAC NameN-cyclopropyl-N-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidine-3-carboxamide
SMILESCCc1cc2cc(C(=O)N(C(=O)C3CCCNC3)C3CC3)sc2s1
InChIInChI=1S/C18H22N2O2S2/c1-2-14-8-12-9-15(24-18(12)23-14)17(22)20(13-5-6-13)16(21)11-4-3-7-19-10-11/h8-9,11,13,19H,2-7,10H2,1H3
InChIKeyDUYKUBHGPGMOAL-UHFFFAOYSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-5-(4-ethylsulfonylphenyl)-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide
CID 91949812
N-cyclopropyl-N-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide
CID 91953678
5-(4-chlorophenyl)-N-cyclopropyl-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide
CID 91953663
N-cyclopropyl-N-(piperidine-3-carbonyl)-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
CID 91948919
N-(3,5-dimethylphenyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119300463
N-cyclopropyl-N-(piperidine-3-carbonyl)pyrazine-2-carboxamide
CID 91953778
N-(4-ethylphenyl)-N-methylpiperidine-3-carboxamide
CID 62002081
N,N-diethylpiperidine-3-carboxamide
CID 18793
(3R)-N-cyclopentyl-N-ethylpiperidine-3-carboxamide
CID 81123268
(3S)-N-cyclopentyl-N-ethylpiperidine-3-carboxamide
CID 81123267
(3R)-N-butyl-N-cyclopropylpiperidine-3-carboxamide
CID 81129307
(3S)-N,N-dimethylpiperidine-3-carboxamide
CID 11469201

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidine-3-carboxamide (CID 91950476) is N-cyclopropyl-N-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidine-3-carboxamide is CCc1cc2cc(C(=O)N(C(=O)C3CCCNC3)C3CC3)sc2s1.
What is the InChIKey of N-cyclopropyl-N-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidine-3-carboxamide?
The InChIKey is DUYKUBHGPGMOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S2/c1-2-14-8-12-9-15(24-18(12)23-14)17(22)20(13-5-6-13)16(21)11-4-3-7-19-10-11/h8-9,11,13,19H,2-7,10H2,1H3.
What are the key properties of N-cyclopropyl-N-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidine-3-carboxamide?
N-cyclopropyl-N-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidine-3-carboxamide has a molecular weight of 362.52 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 91950476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).