[(2R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]-piperidin-1-ylmethanone

C24H26N4O — CID 68747381

IUPAC[(2R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
SMILESO=C([C@H]1CCCN1c1nccc(-c2ccc3ccccc3c2)n1)N1CCCCC1
InChIInChI=1S/C24H26N4O/c29-23(27-14-4-1-5-15-27)22-9-6-16-28(22)24-25-13-12-21(26-24)20-11-10-18-7-2-3-8-19(18)17-20/h2-3,7-8,10-13,17,22H,1,4-6,9,14-16H2/t22-/m1/s1
InChIKeyJFIQJHACNBITSL-JOCHJYFZSA-N
MW386.50 g/mol
LogP4.28
Rot. Bonds3

About [(2R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]-piperidin-1-ylmethanone

[(2R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 68747381) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is [(2R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(2R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
PubChem CID68747381
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name[(2R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
SMILESO=C([C@H]1CCCN1c1nccc(-c2ccc3ccccc3c2)n1)N1CCCCC1
InChIInChI=1S/C24H26N4O/c29-23(27-14-4-1-5-15-27)22-9-6-16-28(22)24-25-13-12-21(26-24)20-11-10-18-7-2-3-8-19(18)17-20/h2-3,7-8,10-13,17,22H,1,4-6,9,14-16H2/t22-/m1/s1
InChIKeyJFIQJHACNBITSL-JOCHJYFZSA-N
XLogP4.28
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide
CID 68728512
4-naphthalen-2-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
CID 68726476
2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 69083843
[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methanol
CID 25217111
[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl] acetate
CID 91343706
[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methylcarbamic acid
CID 68730055
[(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 134799523
[1-(4-naphthalen-2-ylpyrimidin-2-yl)azepan-4-yl]methanamine
CID 68725072
2-iodo-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 68729336
1-[1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 68726054
methyl-[2-[methyl-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]amino]ethyl]carbamic acid
CID 68728830
[(1R)-1-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamic acid
CID 69082107

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(2R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]-piperidin-1-ylmethanone (CID 68747381) is [(2R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(2R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(2R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]-piperidin-1-ylmethanone is O=C([C@H]1CCCN1c1nccc(-c2ccc3ccccc3c2)n1)N1CCCCC1.
What is the InChIKey of [(2R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is JFIQJHACNBITSL-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H26N4O/c29-23(27-14-4-1-5-15-27)22-9-6-16-28(22)24-25-13-12-21(26-24)20-11-10-18-7-2-3-8-19(18)17-20/h2-3,7-8,10-13,17,22H,1,4-6,9,14-16H2/t22-/m1/s1.
What are the key properties of [(2R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
[(2R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 386.50 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 68747381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).