N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C15H22N2O2S — CID 43053418

IUPACN-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C15H22N2O2S/c1-2-3-8-16-14(18)12-6-4-9-17(11-12)15(19)13-7-5-10-20-13/h5,7,10,12H,2-4,6,8-9,11H2,1H3,(H,16,18)
InChIKeyGVJAHDZVPGCCIX-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.52
Rot. Bonds5

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

N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 43053418) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID43053418
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C15H22N2O2S/c1-2-3-8-16-14(18)12-6-4-9-17(11-12)15(19)13-7-5-10-20-13/h5,7,10,12H,2-4,6,8-9,11H2,1H3,(H,16,18)
InChIKeyGVJAHDZVPGCCIX-UHFFFAOYSA-N
XLogP2.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.52
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

(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
N-[3-(ethylsulfonylamino)propyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 47088317
N-(3-cyclopentylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43057667
N-butyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxamide
CID 49407863
(3S)-N-[2-[di(propan-2-yl)amino]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30783507
N-[2-(4-chlorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946563
N-propyl-1-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperidine-3-carboxamide
CID 49401377
N-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224083
N-[(5-methylthiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 71941255
1-(thiophene-2-carbonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 46556807
N-[(4-chlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46556728
N-(1-hydroxybutan-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 110886255

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 43053418) is N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is CCCCNC(=O)C1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is GVJAHDZVPGCCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-2-3-8-16-14(18)12-6-4-9-17(11-12)15(19)13-7-5-10-20-13/h5,7,10,12H,2-4,6,8-9,11H2,1H3,(H,16,18).
What are the key properties of N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 43053418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).