1-(4,6-dimethylpyrimidin-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide

C23H31N5O3S — CID 108805765

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)n1
InChIInChI=1S/C23H31N5O3S/c1-17-16-18(2)25-23(24-17)27-14-10-19(11-15-27)22(29)26-20-6-8-21(9-7-20)32(30,31)28-12-4-3-5-13-28/h6-9,16,19H,3-5,10-15H2,1-2H3,(H,26,29)
InChIKeyPIJKMKIGDRZQOI-UHFFFAOYSA-N
MW457.60 g/mol
LogP3.12
Rot. Bonds5

About 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide

1-(4,6-dimethylpyrimidin-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide (PubChem CID 108805765) has the molecular formula C23H31N5O3S and a molecular weight of 457.60 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
PubChem CID108805765
Molecular FormulaC23H31N5O3S
Molecular Weight457.60 g/mol
Exact Mass457.21
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)n1
InChIInChI=1S/C23H31N5O3S/c1-17-16-18(2)25-23(24-17)27-14-10-19(11-15-27)22(29)26-20-6-8-21(9-7-20)32(30,31)28-12-4-3-5-13-28/h6-9,16,19H,3-5,10-15H2,1-2H3,(H,26,29)
InChIKeyPIJKMKIGDRZQOI-UHFFFAOYSA-N
XLogP3.12
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 108736252
N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223264
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-4-carboxamide
CID 108805731
N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 648454
[4-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]phenyl] thiocyanate
CID 108793930
N-(4-piperidin-1-ylsulfonylphenyl)oxane-4-carboxamide
CID 31962865
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224456
N-[4-[(2S)-butan-2-yl]phenyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 7435408
1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 108741161
(3R)-N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7436254
N-(4-piperidin-1-ylsulfonylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55603379

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide (CID 108805765) is 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide is Cc1cc(C)nc(N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide?
The InChIKey is PIJKMKIGDRZQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3S/c1-17-16-18(2)25-23(24-17)27-14-10-19(11-15-27)22(29)26-20-6-8-21(9-7-20)32(30,31)28-12-4-3-5-13-28/h6-9,16,19H,3-5,10-15H2,1-2H3,(H,26,29).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide has a molecular weight of 457.60 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 108805765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).