N-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C13H18N2O3S — CID 18169040

IUPACN-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCONC(=O)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C13H18N2O3S/c1-2-18-14-12(16)10-5-7-15(8-6-10)13(17)11-4-3-9-19-11/h3-4,9-10H,2,5-8H2,1H3,(H,14,16)
InChIKeyNZTYZHPELSNFPD-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.67
Rot. Bonds4

About N-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 18169040) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID18169040
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCONC(=O)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C13H18N2O3S/c1-2-18-14-12(16)10-5-7-15(8-6-10)13(17)11-4-3-9-19-11/h3-4,9-10H,2,5-8H2,1H3,(H,14,16)
InChIKeyNZTYZHPELSNFPD-UHFFFAOYSA-N
XLogP1.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

diethyl 5-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 46563548
N-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224083
ethyl 2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 17224095
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
ethyl 2-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetate
CID 10588916
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
N-[1-(thiophene-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46446282
N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224197
N-(1,1-diphenylethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 56522986
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 31857710

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 18169040) is N-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is CCONC(=O)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is NZTYZHPELSNFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-18-14-12(16)10-5-7-15(8-6-10)13(17)11-4-3-9-19-11/h3-4,9-10H,2,5-8H2,1H3,(H,14,16).
What are the key properties of N-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 282.36 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 18169040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).