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

C14H21ClN2OS — CID 106625640

IUPAC5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide
SMILESCCCN(CC1CCCCN1)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H21ClN2OS/c1-2-9-17(10-11-5-3-4-8-16-11)14(18)12-6-7-13(15)19-12/h6-7,11,16H,2-5,8-10H2,1H3
InChIKeyAVWPCQOGWREFSJ-UHFFFAOYSA-N
MW300.85 g/mol
LogP3.40
Rot. Bonds5

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

5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide (PubChem CID 106625640) has the molecular formula C14H21ClN2OS and a molecular weight of 300.85 g/mol. Its IUPAC name is 5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide
PubChem CID106625640
Molecular FormulaC14H21ClN2OS
Molecular Weight300.85 g/mol
Exact Mass300.11
IUPAC Name5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide
SMILESCCCN(CC1CCCCN1)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H21ClN2OS/c1-2-9-17(10-11-5-3-4-8-16-11)14(18)12-6-7-13(15)19-12/h6-7,11,16H,2-5,8-10H2,1H3
InChIKeyAVWPCQOGWREFSJ-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-nitro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106625686
N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106625496
5-chloro-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide
CID 79720777
5-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106628225
5-chloro-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 104974058
3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625495
2-chloro-4-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106862424
N-(piperidin-2-ylmethyl)-N-propylpyridine-4-carboxamide
CID 106625818
N-(piperidin-2-ylmethyl)-N-propyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 106625827
N-(piperidin-2-ylmethyl)-N-propylpyrimidine-5-carboxamide
CID 106625552
5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-sulfonamide
CID 106630606
2,4-dihydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625817

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide (CID 106625640) is 5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide is CCCN(CC1CCCCN1)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide?
The InChIKey is AVWPCQOGWREFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2OS/c1-2-9-17(10-11-5-3-4-8-16-11)14(18)12-6-7-13(15)19-12/h6-7,11,16H,2-5,8-10H2,1H3.
What are the key properties of 5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide?
5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide has a molecular weight of 300.85 g/mol, XLogP of 3.40, 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-2-ylmethyl)-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 106625640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).