N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide

C20H25N5O3 — CID 3222671

IUPACN-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide
SMILESCOc1nc(OC)nc(N2CCC(C(=O)Nc3ccc4c(c3)CCC4)CC2)n1
InChIInChI=1S/C20H25N5O3/c1-27-19-22-18(23-20(24-19)28-2)25-10-8-14(9-11-25)17(26)21-16-7-6-13-4-3-5-15(13)12-16/h6-7,12,14H,3-5,8-11H2,1-2H3,(H,21,26)
InChIKeyZHDPDVCBLSXQST-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.23
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide (PubChem CID 3222671) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide
PubChem CID3222671
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide
SMILESCOc1nc(OC)nc(N2CCC(C(=O)Nc3ccc4c(c3)CCC4)CC2)n1
InChIInChI=1S/C20H25N5O3/c1-27-19-22-18(23-20(24-19)28-2)25-10-8-14(9-11-25)17(26)21-16-7-6-13-4-3-5-15(13)12-16/h6-7,12,14H,3-5,8-11H2,1-2H3,(H,21,26)
InChIKeyZHDPDVCBLSXQST-UHFFFAOYSA-N
XLogP2.23
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 648454
1-acetyl-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide
CID 6468881
N-(2,3-dihydro-1H-inden-5-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 1432061
N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]cyclobutanecarboxamide
CID 163357717
N-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 23609722
N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223122
N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223264
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 3222669
N-(3-methoxyphenyl)-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146185
1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-4-carboxamide
CID 108805731
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]cyclohexanecarboxamide
CID 27443573
1-(3-cyano-6-fluoroquinolin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide
CID 53002561

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide (CID 3222671) is N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide is COc1nc(OC)nc(N2CCC(C(=O)Nc3ccc4c(c3)CCC4)CC2)n1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide?
The InChIKey is ZHDPDVCBLSXQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-27-19-22-18(23-20(24-19)28-2)25-10-8-14(9-11-25)17(26)21-16-7-6-13-4-3-5-15(13)12-16/h6-7,12,14H,3-5,8-11H2,1-2H3,(H,21,26).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 3222671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).