N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide

C22H28N2O2S — CID 20877886

IUPACN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCC1CC(C)CN(CCCNC(=O)c2cc3c(s2)-c2ccccc2OC3)C1
InChIInChI=1S/C22H28N2O2S/c1-15-10-16(2)13-24(12-15)9-5-8-23-22(25)20-11-17-14-26-19-7-4-3-6-18(19)21(17)27-20/h3-4,6-7,11,15-16H,5,8-10,12-14H2,1-2H3,(H,23,25)
InChIKeyQXMIBDJBYORMSG-UHFFFAOYSA-N
MW384.55 g/mol
LogP4.41
Rot. Bonds5

About N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 20877886) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID20877886
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCC1CC(C)CN(CCCNC(=O)c2cc3c(s2)-c2ccccc2OC3)C1
InChIInChI=1S/C22H28N2O2S/c1-15-10-16(2)13-24(12-15)9-5-8-23-22(25)20-11-17-14-26-19-7-4-3-6-18(19)21(17)27-20/h3-4,6-7,11,15-16H,5,8-10,12-14H2,1-2H3,(H,23,25)
InChIKeyQXMIBDJBYORMSG-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
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

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877747
N-[3-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 92666787
N-[2-[di(propan-2-yl)amino]ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 27231274
N-[2-[(4-hydroxybenzoyl)amino]ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 60517158
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253191
N-[2-(furan-2-carbonylamino)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 134046907
N-[2-(4-methoxyphenyl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 27548315
9-methyl-N-(3-morpholin-4-ylpropyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877717
N'-(3-methylbutanoyl)-4H-thieno[3,2-c]chromene-2-carbohydrazide
CID 24543025
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 56517535
N-(3-morpholin-4-ylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 17465579
N-(1-methyl-6-oxo-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 71938599

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide (CID 20877886) is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide is CC1CC(C)CN(CCCNC(=O)c2cc3c(s2)-c2ccccc2OC3)C1.
What is the InChIKey of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is QXMIBDJBYORMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-15-10-16(2)13-24(12-15)9-5-8-23-22(25)20-11-17-14-26-19-7-4-3-6-18(19)21(17)27-20/h3-4,6-7,11,15-16H,5,8-10,12-14H2,1-2H3,(H,23,25).
What are the key properties of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 384.55 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 20877886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).