N-prop-2-ynyl-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide

C20H20N2O2S — CID 134801349

IUPACN-prop-2-ynyl-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide
SMILESC#CCNC(=O)C1CCN(C(=O)c2ccc(-c3cccs3)cc2)CC1
InChIInChI=1S/C20H20N2O2S/c1-2-11-21-19(23)16-9-12-22(13-10-16)20(24)17-7-5-15(6-8-17)18-4-3-14-25-18/h1,3-8,14,16H,9-13H2,(H,21,23)
InChIKeyHTTPPHBZKDAKOA-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.02
Rot. Bonds4

About N-prop-2-ynyl-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide

N-prop-2-ynyl-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide (PubChem CID 134801349) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-prop-2-ynyl-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-prop-2-ynyl-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide
PubChem CID134801349
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-prop-2-ynyl-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide
SMILESC#CCNC(=O)C1CCN(C(=O)c2ccc(-c3cccs3)cc2)CC1
InChIInChI=1S/C20H20N2O2S/c1-2-11-21-19(23)16-9-12-22(13-10-16)20(24)17-7-5-15(6-8-17)18-4-3-14-25-18/h1,3-8,14,16H,9-13H2,(H,21,23)
InChIKeyHTTPPHBZKDAKOA-UHFFFAOYSA-N
XLogP3.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-prop-2-ynyl-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide
CID 134801850
N-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224083
CID 134802505
CID 134802505
1-(4-bromobenzoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 27770344
1-(3-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973351
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 46292734
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17499690
1-(3,4-difluorobenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973358
N-ethyl-4-[(4-thiophen-2-ylbenzoyl)amino]piperidine-1-carboxamide
CID 122557673
(2S)-N-prop-2-ynyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 18110042
[7-(2-chlorophenyl)-1,1-dioxo-1,4-thiazepan-4-yl]-(4-thiophen-2-ylphenyl)methanone
CID 119104459
1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 60963126

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-prop-2-ynyl-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide (CID 134801349) is N-prop-2-ynyl-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-prop-2-ynyl-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-prop-2-ynyl-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide is C#CCNC(=O)C1CCN(C(=O)c2ccc(-c3cccs3)cc2)CC1.
What is the InChIKey of N-prop-2-ynyl-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide?
The InChIKey is HTTPPHBZKDAKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-2-11-21-19(23)16-9-12-22(13-10-16)20(24)17-7-5-15(6-8-17)18-4-3-14-25-18/h1,3-8,14,16H,9-13H2,(H,21,23).
What are the key properties of N-prop-2-ynyl-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide?
N-prop-2-ynyl-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 134801349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).