[(1R)-1-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamic acid

C22H24N4O2 — CID 69082107

IUPAC[(1R)-1-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamic acid
SMILESC[C@@H](NC(=O)O)C1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1
InChIInChI=1S/C22H24N4O2/c1-15(24-22(27)28)16-9-12-26(13-10-16)21-23-11-8-20(25-21)19-7-6-17-4-2-3-5-18(17)14-19/h2-8,11,14-16,24H,9-10,12-13H2,1H3,(H,27,28)/t15-/m1/s1
InChIKeyUPBSPBHTZXHMRM-OAHLLOKOSA-N
MW376.46 g/mol
LogP4.17
Rot. Bonds4

About [(1R)-1-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamic acid

[(1R)-1-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamic acid (PubChem CID 69082107) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is [(1R)-1-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamic acid.

Molecular Properties

Compound Name[(1R)-1-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamic acid
PubChem CID69082107
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name[(1R)-1-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamic acid
SMILESC[C@@H](NC(=O)O)C1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1
InChIInChI=1S/C22H24N4O2/c1-15(24-22(27)28)16-9-12-26(13-10-16)21-23-11-8-20(25-21)19-7-6-17-4-2-3-5-18(17)14-19/h2-8,11,14-16,24H,9-10,12-13H2,1H3,(H,27,28)/t15-/m1/s1
InChIKeyUPBSPBHTZXHMRM-OAHLLOKOSA-N
XLogP4.17
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 69083843
1-[1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 68726054
[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
methyl-[2-[methyl-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]amino]ethyl]carbamic acid
CID 68728830
2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]ethylcarbamic acid
CID 69077782
2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine
CID 25217829
N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide
CID 68728512
benzyl N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamate
CID 90986865
2-[4-[[methyl(methylsulfamoyl)amino]methyl]piperidin-1-yl]-4-naphthalen-2-ylpyrimidine
CID 68728464
4-naphthalen-2-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
CID 68726476
[1-(4-naphthalen-2-ylpyrimidin-2-yl)azepan-4-yl]methanamine
CID 68725072

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamic acid?
The IUPAC name of [(1R)-1-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamic acid (CID 69082107) is [(1R)-1-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamic acid.
What is the SMILES notation for [(1R)-1-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamic acid?
The canonical SMILES for [(1R)-1-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamic acid is C[C@@H](NC(=O)O)C1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1.
What is the InChIKey of [(1R)-1-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamic acid?
The InChIKey is UPBSPBHTZXHMRM-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15(24-22(27)28)16-9-12-26(13-10-16)21-23-11-8-20(25-21)19-7-6-17-4-2-3-5-18(17)14-19/h2-8,11,14-16,24H,9-10,12-13H2,1H3,(H,27,28)/t15-/m1/s1.
What are the key properties of [(1R)-1-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamic acid?
[(1R)-1-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamic acid has a molecular weight of 376.46 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamic acid is sourced from PubChem (CID 69082107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).