1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)piperidine-4-carboxamide

C19H32N4O6 — CID 108793914

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)N(C)CC(O)C(O)C(O)C(O)CO)CC2)n1
InChIInChI=1S/C19H32N4O6/c1-11-8-12(2)21-19(20-11)23-6-4-13(5-7-23)18(29)22(3)9-14(25)16(27)17(28)15(26)10-24/h8,13-17,24-28H,4-7,9-10H2,1-3H3
InChIKeyZJWWVWPFBCVVPT-UHFFFAOYSA-N
MW412.49 g/mol
LogP-1.80
Rot. Bonds8

About 1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)piperidine-4-carboxamide

1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)piperidine-4-carboxamide (PubChem CID 108793914) has the molecular formula C19H32N4O6 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)piperidine-4-carboxamide
PubChem CID108793914
Molecular FormulaC19H32N4O6
Molecular Weight412.49 g/mol
Exact Mass412.23
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)N(C)CC(O)C(O)C(O)C(O)CO)CC2)n1
InChIInChI=1S/C19H32N4O6/c1-11-8-12(2)21-19(20-11)23-6-4-13(5-7-23)18(29)22(3)9-14(25)16(27)17(28)15(26)10-24/h8,13-17,24-28H,4-7,9-10H2,1-3H3
InChIKeyZJWWVWPFBCVVPT-UHFFFAOYSA-N
XLogP-1.80
TPSA150.48 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 5-1.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-(4,6-dimethylpyrimidin-2-yl)-N-(1-hydroxybutan-2-yl)piperidine-4-carboxamide
CID 108793916
N-(2-amino-2-oxoethyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223325
2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 66509632
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-phenylpyrrolidine-3-carboxamide
CID 124886900
2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-methyl-N-(2-phenylpropyl)acetamide
CID 110246294
1-(4,6-dimethylpyrimidin-2-yl)-N,N-dimethylpiperidine-3-carboxamide
CID 47473849
1-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 653435
N-[4-[(2S)-butan-2-yl]phenyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 7435408
methyl 2-[[1-(4,6-dimethylquinazolin-2-yl)piperidine-4-carbonyl]-methylamino]acetate
CID 118755153
4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidine
CID 78845238
N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223264
(4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 155975803

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)piperidine-4-carboxamide (CID 108793914) is 1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)piperidine-4-carboxamide is Cc1cc(C)nc(N2CCC(C(=O)N(C)CC(O)C(O)C(O)C(O)CO)CC2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)piperidine-4-carboxamide?
The InChIKey is ZJWWVWPFBCVVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O6/c1-11-8-12(2)21-19(20-11)23-6-4-13(5-7-23)18(29)22(3)9-14(25)16(27)17(28)15(26)10-24/h8,13-17,24-28H,4-7,9-10H2,1-3H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)piperidine-4-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)piperidine-4-carboxamide has a molecular weight of 412.49 g/mol, XLogP of -1.80, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)piperidine-4-carboxamide is sourced from PubChem (CID 108793914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).