N-butyl-1-(3-phenylthiophene-2-carbonyl)piperidine-4-carboxamide

C21H26N2O2S — CID 86985184

IUPACN-butyl-1-(3-phenylthiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)c2sccc2-c2ccccc2)CC1
InChIInChI=1S/C21H26N2O2S/c1-2-3-12-22-20(24)17-9-13-23(14-10-17)21(25)19-18(11-15-26-19)16-7-5-4-6-8-16/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3,(H,22,24)
InChIKeyFHTGMIYYBYDXTE-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.18
Rot. Bonds6

About N-butyl-1-(3-phenylthiophene-2-carbonyl)piperidine-4-carboxamide

N-butyl-1-(3-phenylthiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 86985184) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-butyl-1-(3-phenylthiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(3-phenylthiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID86985184
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC NameN-butyl-1-(3-phenylthiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)c2sccc2-c2ccccc2)CC1
InChIInChI=1S/C21H26N2O2S/c1-2-3-12-22-20(24)17-9-13-23(14-10-17)21(25)19-18(11-15-26-19)16-7-5-4-6-8-16/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3,(H,22,24)
InChIKeyFHTGMIYYBYDXTE-UHFFFAOYSA-N
XLogP4.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-methylpiperidin-1-yl)-(3-phenylthiophen-2-yl)methanone
CID 78768210
1-(3-aminothiophene-2-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 61116130
(3-hydroxypyrrolidin-1-yl)-(3-phenylthiophen-2-yl)methanone
CID 62916923
1-(3-bromothiophene-2-carbonyl)-N-ethylpiperidine-4-carboxamide
CID 60777066
N-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224083
N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113002679
N-butyl-1-(1-phenyltriazole-4-carbonyl)piperidine-4-carboxamide
CID 86829243
1-(3-methylthiophene-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 17395338
1-(2-aminobenzoyl)-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 119944482
1-(2-anilinobenzoyl)-N-pentylpiperidine-4-carboxamide
CID 39938111
morpholin-4-yl-(3-phenylthiophen-2-yl)methanone
CID 18105345
1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide
CID 113005595

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(3-phenylthiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-(3-phenylthiophene-2-carbonyl)piperidine-4-carboxamide (CID 86985184) is N-butyl-1-(3-phenylthiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-(3-phenylthiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-(3-phenylthiophene-2-carbonyl)piperidine-4-carboxamide is CCCCNC(=O)C1CCN(C(=O)c2sccc2-c2ccccc2)CC1.
What is the InChIKey of N-butyl-1-(3-phenylthiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is FHTGMIYYBYDXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-2-3-12-22-20(24)17-9-13-23(14-10-17)21(25)19-18(11-15-26-19)16-7-5-4-6-8-16/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3,(H,22,24).
What are the key properties of N-butyl-1-(3-phenylthiophene-2-carbonyl)piperidine-4-carboxamide?
N-butyl-1-(3-phenylthiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(3-phenylthiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 86985184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).