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

C24H33N3O2S — CID 46413875

IUPACN-[2-(diethylamino)-3-phenylpropyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCN(CC)C(CNC(=O)C1CCN(C(=O)c2cccs2)CC1)Cc1ccccc1
InChIInChI=1S/C24H33N3O2S/c1-3-26(4-2)21(17-19-9-6-5-7-10-19)18-25-23(28)20-12-14-27(15-13-20)24(29)22-11-8-16-30-22/h5-11,16,20-21H,3-4,12-15,17-18H2,1-2H3,(H,25,28)
InChIKeyRQZAWMXHMLRKMX-UHFFFAOYSA-N
MW427.61 g/mol
LogP3.67
Rot. Bonds9

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

N-[2-(diethylamino)-3-phenylpropyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 46413875) has the molecular formula C24H33N3O2S and a molecular weight of 427.61 g/mol. Its IUPAC name is N-[2-(diethylamino)-3-phenylpropyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-3-phenylpropyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID46413875
Molecular FormulaC24H33N3O2S
Molecular Weight427.61 g/mol
Exact Mass427.23
IUPAC NameN-[2-(diethylamino)-3-phenylpropyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCN(CC)C(CNC(=O)C1CCN(C(=O)c2cccs2)CC1)Cc1ccccc1
InChIInChI=1S/C24H33N3O2S/c1-3-26(4-2)21(17-19-9-6-5-7-10-19)18-25-23(28)20-12-14-27(15-13-20)24(29)22-11-8-16-30-22/h5-11,16,20-21H,3-4,12-15,17-18H2,1-2H3,(H,25,28)
InChIKeyRQZAWMXHMLRKMX-UHFFFAOYSA-N
XLogP3.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.61
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(diethylamino)-3-phenylpropyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 30904401
N-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224083
N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27647213
N-(2-methylpropyl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42693237
N-benzyl-N-propan-2-yl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224062
N-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 18169040
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
N-[(3-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46424833
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51479387
N-(3-methyl-1-phenylbutyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51199351
N-(1-benzyl-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55857162
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 46413875) is N-[2-(diethylamino)-3-phenylpropyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-3-phenylpropyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-3-phenylpropyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is CCN(CC)C(CNC(=O)C1CCN(C(=O)c2cccs2)CC1)Cc1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-3-phenylpropyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is RQZAWMXHMLRKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2S/c1-3-26(4-2)21(17-19-9-6-5-7-10-19)18-25-23(28)20-12-14-27(15-13-20)24(29)22-11-8-16-30-22/h5-11,16,20-21H,3-4,12-15,17-18H2,1-2H3,(H,25,28).
What are the key properties of N-[2-(diethylamino)-3-phenylpropyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-[2-(diethylamino)-3-phenylpropyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 427.61 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-3-phenylpropyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 46413875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).