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

C21H26N2O2S — CID 20877885

IUPACN-[3-(4-methylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCC1CCN(CCCNC(=O)c2cc3c(s2)-c2ccccc2OC3)CC1
InChIInChI=1S/C21H26N2O2S/c1-15-7-11-23(12-8-15)10-4-9-22-21(24)19-13-16-14-25-18-6-3-2-5-17(18)20(16)26-19/h2-3,5-6,13,15H,4,7-12,14H2,1H3,(H,22,24)
InChIKeyVPLLMEOWKJGEBQ-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.16
Rot. Bonds5

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

N-[3-(4-methylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 20877885) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[3-(4-methylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID20877885
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC NameN-[3-(4-methylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCC1CCN(CCCNC(=O)c2cc3c(s2)-c2ccccc2OC3)CC1
InChIInChI=1S/C21H26N2O2S/c1-15-7-11-23(12-8-15)10-4-9-22-21(24)19-13-16-14-25-18-6-3-2-5-17(18)20(16)26-19/h2-3,5-6,13,15H,4,7-12,14H2,1H3,(H,22,24)
InChIKeyVPLLMEOWKJGEBQ-UHFFFAOYSA-N
XLogP4.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.16
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide (CID 20877885) is N-[3-(4-methylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-[3-(4-methylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-[3-(4-methylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide is CC1CCN(CCCNC(=O)c2cc3c(s2)-c2ccccc2OC3)CC1.
What is the InChIKey of N-[3-(4-methylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is VPLLMEOWKJGEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-15-7-11-23(12-8-15)10-4-9-22-21(24)19-13-16-14-25-18-6-3-2-5-17(18)20(16)26-19/h2-3,5-6,13,15H,4,7-12,14H2,1H3,(H,22,24).
What are the key properties of N-[3-(4-methylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
N-[3-(4-methylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 20877885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).