5-iodo-N-(piperidin-2-ylmethyl)-N-propylthiophene-3-carboxamide

C14H21IN2OS — CID 106625541

IUPAC5-iodo-N-(piperidin-2-ylmethyl)-N-propylthiophene-3-carboxamide
SMILESCCCN(CC1CCCCN1)C(=O)c1csc(I)c1
InChIInChI=1S/C14H21IN2OS/c1-2-7-17(9-12-5-3-4-6-16-12)14(18)11-8-13(15)19-10-11/h8,10,12,16H,2-7,9H2,1H3
InChIKeyFXXUZHXSQHFNPO-UHFFFAOYSA-N
MW392.31 g/mol
LogP3.35
Rot. Bonds5

About 5-iodo-N-(piperidin-2-ylmethyl)-N-propylthiophene-3-carboxamide

5-iodo-N-(piperidin-2-ylmethyl)-N-propylthiophene-3-carboxamide (PubChem CID 106625541) has the molecular formula C14H21IN2OS and a molecular weight of 392.31 g/mol. Its IUPAC name is 5-iodo-N-(piperidin-2-ylmethyl)-N-propylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-(piperidin-2-ylmethyl)-N-propylthiophene-3-carboxamide
PubChem CID106625541
Molecular FormulaC14H21IN2OS
Molecular Weight392.31 g/mol
Exact Mass392.04
IUPAC Name5-iodo-N-(piperidin-2-ylmethyl)-N-propylthiophene-3-carboxamide
SMILESCCCN(CC1CCCCN1)C(=O)c1csc(I)c1
InChIInChI=1S/C14H21IN2OS/c1-2-7-17(9-12-5-3-4-6-16-12)14(18)11-8-13(15)19-10-11/h8,10,12,16H,2-7,9H2,1H3
InChIKeyFXXUZHXSQHFNPO-UHFFFAOYSA-N
XLogP3.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.31
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-N,N-dipropylthiophene-3-carboxamide
CID 78948915
5-methyl-N-(piperidin-2-ylmethyl)-N-propylfuran-3-carboxamide
CID 106625551
N-(piperidin-2-ylmethyl)-N-propylpyridine-4-carboxamide
CID 106625818
N-(piperidin-2-ylmethyl)-N-propylpyrimidine-5-carboxamide
CID 106625552
3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625495
N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106625496
4-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625701
2,4-dihydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625817
2,4-difluoro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625849
2,4-dibromo-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 107940286
5-bromo-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide
CID 107963789
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610422

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(piperidin-2-ylmethyl)-N-propylthiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-(piperidin-2-ylmethyl)-N-propylthiophene-3-carboxamide (CID 106625541) is 5-iodo-N-(piperidin-2-ylmethyl)-N-propylthiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-(piperidin-2-ylmethyl)-N-propylthiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-(piperidin-2-ylmethyl)-N-propylthiophene-3-carboxamide is CCCN(CC1CCCCN1)C(=O)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-(piperidin-2-ylmethyl)-N-propylthiophene-3-carboxamide?
The InChIKey is FXXUZHXSQHFNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2OS/c1-2-7-17(9-12-5-3-4-6-16-12)14(18)11-8-13(15)19-10-11/h8,10,12,16H,2-7,9H2,1H3.
What are the key properties of 5-iodo-N-(piperidin-2-ylmethyl)-N-propylthiophene-3-carboxamide?
5-iodo-N-(piperidin-2-ylmethyl)-N-propylthiophene-3-carboxamide has a molecular weight of 392.31 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(piperidin-2-ylmethyl)-N-propylthiophene-3-carboxamide is sourced from PubChem (CID 106625541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).