N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide

C22H28N2O2S — CID 20877970

IUPACN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCC1CCCC(C)N1CCCNC(=O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C22H28N2O2S/c1-15-7-5-8-16(2)24(15)12-6-11-23-22(25)20-13-17-14-26-19-10-4-3-9-18(19)21(17)27-20/h3-4,9-10,13,15-16H,5-8,11-12,14H2,1-2H3,(H,23,25)
InChIKeyXHQBBNLJHPXONM-UHFFFAOYSA-N
MW384.55 g/mol
LogP4.69
Rot. Bonds5

About N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide

N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 20877970) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID20877970
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC NameN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCC1CCCC(C)N1CCCNC(=O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C22H28N2O2S/c1-15-7-5-8-16(2)24(15)12-6-11-23-22(25)20-13-17-14-26-19-10-4-3-9-18(19)21(17)27-20/h3-4,9-10,13,15-16H,5-8,11-12,14H2,1-2H3,(H,23,25)
InChIKeyXHQBBNLJHPXONM-UHFFFAOYSA-N
XLogP4.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N,N-Diethyl-5-(spiro[chromene-2,4''-piperidine]-4-yl)thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide (CID 20877970) is N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide is CC1CCCC(C)N1CCCNC(=O)c1cc2c(s1)-c1ccccc1OC2.
What is the InChIKey of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is XHQBBNLJHPXONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-15-7-5-8-16(2)24(15)12-6-11-23-22(25)20-13-17-14-26-19-10-4-3-9-18(19)21(17)27-20/h3-4,9-10,13,15-16H,5-8,11-12,14H2,1-2H3,(H,23,25).
What are the key properties of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 384.55 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 20877970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).