N-cyclohexyl-2-[2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide

C26H35FN4O — CID 125021463

IUPACN-cyclohexyl-2-[2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
SMILESCc1nc([C@@H]2CCCN(Cc3ccccc3F)C2)nc(C)c1CC(=O)NC1CCCCC1
InChIInChI=1S/C26H35FN4O/c1-18-23(15-25(32)30-22-11-4-3-5-12-22)19(2)29-26(28-18)21-10-8-14-31(17-21)16-20-9-6-7-13-24(20)27/h6-7,9,13,21-22H,3-5,8,10-12,14-17H2,1-2H3,(H,30,32)/t21-/m1/s1
InChIKeyYJWOFCMATKWGHW-OAQYLSRUSA-N
MW438.59 g/mol
LogP4.60
Rot. Bonds6

About N-cyclohexyl-2-[2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide

N-cyclohexyl-2-[2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide (PubChem CID 125021463) has the molecular formula C26H35FN4O and a molecular weight of 438.59 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
PubChem CID125021463
Molecular FormulaC26H35FN4O
Molecular Weight438.59 g/mol
Exact Mass438.28
IUPAC NameN-cyclohexyl-2-[2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
SMILESCc1nc([C@@H]2CCCN(Cc3ccccc3F)C2)nc(C)c1CC(=O)NC1CCCCC1
InChIInChI=1S/C26H35FN4O/c1-18-23(15-25(32)30-22-11-4-3-5-12-22)19(2)29-26(28-18)21-10-8-14-31(17-21)16-20-9-6-7-13-24(20)27/h6-7,9,13,21-22H,3-5,8,10-12,14-17H2,1-2H3,(H,30,32)/t21-/m1/s1
InChIKeyYJWOFCMATKWGHW-OAQYLSRUSA-N
XLogP4.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.59
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide (CID 125021463) is N-cyclohexyl-2-[2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide is Cc1nc([C@@H]2CCCN(Cc3ccccc3F)C2)nc(C)c1CC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide?
The InChIKey is YJWOFCMATKWGHW-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H35FN4O/c1-18-23(15-25(32)30-22-11-4-3-5-12-22)19(2)29-26(28-18)21-10-8-14-31(17-21)16-20-9-6-7-13-24(20)27/h6-7,9,13,21-22H,3-5,8,10-12,14-17H2,1-2H3,(H,30,32)/t21-/m1/s1.
What are the key properties of N-cyclohexyl-2-[2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide?
N-cyclohexyl-2-[2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide has a molecular weight of 438.59 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide is sourced from PubChem (CID 125021463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).