5-chloro-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide

C14H21ClN2OS — CID 79720777

IUPAC5-chloro-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide
SMILESCCCN(CC1CCNCC1)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H21ClN2OS/c1-2-9-17(10-11-5-7-16-8-6-11)14(18)12-3-4-13(15)19-12/h3-4,11,16H,2,5-10H2,1H3
InChIKeyWFVWYFNUPNXEPA-UHFFFAOYSA-N
MW300.85 g/mol
LogP3.25
Rot. Bonds5

About 5-chloro-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide

5-chloro-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide (PubChem CID 79720777) has the molecular formula C14H21ClN2OS and a molecular weight of 300.85 g/mol. Its IUPAC name is 5-chloro-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide
PubChem CID79720777
Molecular FormulaC14H21ClN2OS
Molecular Weight300.85 g/mol
Exact Mass300.11
IUPAC Name5-chloro-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide
SMILESCCCN(CC1CCNCC1)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H21ClN2OS/c1-2-9-17(10-11-5-7-16-8-6-11)14(18)12-3-4-13(15)19-12/h3-4,11,16H,2,5-10H2,1H3
InChIKeyWFVWYFNUPNXEPA-UHFFFAOYSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106628225
5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106625640
5-[cyclopropylmethyl(propyl)carbamoyl]thiophene-2-carboxylic acid
CID 60722178
2,6-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702520
2,4-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79700911
5-chloro-2-hydroxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702379
4-iodo-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79721151
N-(2-bromoethyl)-5-chloro-N-propylthiophene-2-carboxamide
CID 80665544
4,5-dichloro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide
CID 79720994
3-bromo-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide
CID 79720482
5-chloro-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 62277462
4-methoxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702846

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide (CID 79720777) is 5-chloro-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide is CCCN(CC1CCNCC1)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide?
The InChIKey is WFVWYFNUPNXEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2OS/c1-2-9-17(10-11-5-7-16-8-6-11)14(18)12-3-4-13(15)19-12/h3-4,11,16H,2,5-10H2,1H3.
What are the key properties of 5-chloro-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide?
5-chloro-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide has a molecular weight of 300.85 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 79720777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).