N-piperidin-3-yl-N-propylthiophene-3-carboxamide

C13H20N2OS — CID 55246454

IUPACN-piperidin-3-yl-N-propylthiophene-3-carboxamide
SMILESCCCN(C(=O)c1ccsc1)C1CCCNC1
InChIInChI=1S/C13H20N2OS/c1-2-7-15(12-4-3-6-14-9-12)13(16)11-5-8-17-10-11/h5,8,10,12,14H,2-4,6-7,9H2,1H3
InChIKeyITXBETKDXOOUHC-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.35
Rot. Bonds4

About N-piperidin-3-yl-N-propylthiophene-3-carboxamide

N-piperidin-3-yl-N-propylthiophene-3-carboxamide (PubChem CID 55246454) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-piperidin-3-yl-N-propylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-piperidin-3-yl-N-propylthiophene-3-carboxamide
PubChem CID55246454
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-piperidin-3-yl-N-propylthiophene-3-carboxamide
SMILESCCCN(C(=O)c1ccsc1)C1CCCNC1
InChIInChI=1S/C13H20N2OS/c1-2-7-15(12-4-3-6-14-9-12)13(16)11-5-8-17-10-11/h5,8,10,12,14H,2-4,6-7,9H2,1H3
InChIKeyITXBETKDXOOUHC-UHFFFAOYSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-piperidin-3-yl-N-propylthiophene-2-carboxamide
CID 63636574
N-piperidin-3-yl-4-propan-2-yl-N-propylbenzamide
CID 60807585
6-oxo-N-piperidin-3-yl-N-propyl-1H-pyridine-3-carboxamide
CID 55246260
N-piperidin-3-yl-N-propylpyridine-3-carboxamide
CID 63638133
6-oxo-N-piperidin-3-yl-N-propylpyran-3-carboxamide
CID 63637793
N-piperidin-3-yl-N-propyl-1,2-oxazole-3-carboxamide
CID 63638830
4-fluoro-3-methyl-N-piperidin-3-yl-N-propylbenzamide
CID 63209531
N-piperidin-3-yl-N-propyl-1H-indole-6-carboxamide
CID 63748800
5-fluoro-2-methyl-N-piperidin-3-yl-N-propylbenzamide
CID 63050163
N-cyclobutyl-N-(3-hydroxypropyl)thiophene-3-carboxamide
CID 102866076
5-fluoro-N-piperidin-3-yl-N-propylpyridine-2-carboxamide
CID 104639262
N-piperidin-3-yl-N-propylthiadiazole-5-carboxamide
CID 63638833

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-N-propylthiophene-3-carboxamide?
The IUPAC name of N-piperidin-3-yl-N-propylthiophene-3-carboxamide (CID 55246454) is N-piperidin-3-yl-N-propylthiophene-3-carboxamide.
What is the SMILES notation for N-piperidin-3-yl-N-propylthiophene-3-carboxamide?
The canonical SMILES for N-piperidin-3-yl-N-propylthiophene-3-carboxamide is CCCN(C(=O)c1ccsc1)C1CCCNC1.
What is the InChIKey of N-piperidin-3-yl-N-propylthiophene-3-carboxamide?
The InChIKey is ITXBETKDXOOUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-2-7-15(12-4-3-6-14-9-12)13(16)11-5-8-17-10-11/h5,8,10,12,14H,2-4,6-7,9H2,1H3.
What are the key properties of N-piperidin-3-yl-N-propylthiophene-3-carboxamide?
N-piperidin-3-yl-N-propylthiophene-3-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-N-propylthiophene-3-carboxamide is sourced from PubChem (CID 55246454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).