N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C20H24N2O2S — CID 27647213

IUPACN-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C20H24N2O2S/c23-19(21-12-4-8-16-6-2-1-3-7-16)17-10-13-22(14-11-17)20(24)18-9-5-15-25-18/h1-3,5-7,9,15,17H,4,8,10-14H2,(H,21,23)
InChIKeyIVALPGPVYAFVKF-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.35
Rot. Bonds6

About N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 27647213) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID27647213
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C20H24N2O2S/c23-19(21-12-4-8-16-6-2-1-3-7-16)17-10-13-22(14-11-17)20(24)18-9-5-15-25-18/h1-3,5-7,9,15,17H,4,8,10-14H2,(H,21,23)
InChIKeyIVALPGPVYAFVKF-UHFFFAOYSA-N
XLogP3.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.35
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

N-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224083
N-[3-(cyclopropylmethoxy)propyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 18120928
N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224187
N-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27757040
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
N-[2-(diethylamino)-3-phenylpropyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46413875
N-(3-phenylpropyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 36982143
N-[(3-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46424833
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9400507
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 8744694

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 27647213) is N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is O=C(NCCCc1ccccc1)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is IVALPGPVYAFVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c23-19(21-12-4-8-16-6-2-1-3-7-16)17-10-13-22(14-11-17)20(24)18-9-5-15-25-18/h1-3,5-7,9,15,17H,4,8,10-14H2,(H,21,23).
What are the key properties of N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 27647213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).