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

C21H26N4O — CID 648454

IUPACN-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)Nc3ccc4c(c3)CCC4)CC2)n1
InChIInChI=1S/C21H26N4O/c1-14-12-15(2)23-21(22-14)25-10-8-17(9-11-25)20(26)24-19-7-6-16-4-3-5-18(16)13-19/h6-7,12-13,17H,3-5,8-11H2,1-2H3,(H,24,26)
InChIKeyMHVASVOHEVLSRT-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.44
Rot. Bonds3

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

N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 648454) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID648454
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)Nc3ccc4c(c3)CCC4)CC2)n1
InChIInChI=1S/C21H26N4O/c1-14-12-15(2)23-21(22-14)25-10-8-17(9-11-25)20(26)24-19-7-6-16-4-3-5-18(16)13-19/h6-7,12-13,17H,3-5,8-11H2,1-2H3,(H,24,26)
InChIKeyMHVASVOHEVLSRT-UHFFFAOYSA-N
XLogP3.44
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide
CID 3222671
N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223264
1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-4-carboxamide
CID 108805731
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-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 23609722
1-(4,6-dimethylpyrimidin-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 108805765
1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 108741161
[4-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]phenyl] thiocyanate
CID 108793930
N-[4-[(2S)-butan-2-yl]phenyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 7435408
N-(2,3-dihydro-1H-inden-5-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 1432061
(3S)-N-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 7205261
(3R)-N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7436254

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide (CID 648454) is N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide is Cc1cc(C)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-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is MHVASVOHEVLSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-14-12-15(2)23-21(22-14)25-10-8-17(9-11-25)20(26)24-19-7-6-16-4-3-5-18(16)13-19/h6-7,12-13,17H,3-5,8-11H2,1-2H3,(H,24,26).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 648454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).