cyclobutyl-[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methanone

C14H19N3O — CID 95730645

IUPACcyclobutyl-[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCCC[C@H]1c1ccncn1
InChIInChI=1S/C14H19N3O/c18-14(11-4-3-5-11)17-9-2-1-6-13(17)12-7-8-15-10-16-12/h7-8,10-11,13H,1-6,9H2/t13-/m0/s1
InChIKeyACKPTLWRXDLZOU-ZDUSSCGKSA-N
MW245.33 g/mol
LogP2.33
Rot. Bonds2

About cyclobutyl-[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methanone

cyclobutyl-[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methanone (PubChem CID 95730645) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is cyclobutyl-[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methanone
PubChem CID95730645
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Namecyclobutyl-[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCCC[C@H]1c1ccncn1
InChIInChI=1S/C14H19N3O/c18-14(11-4-3-5-11)17-9-2-1-6-13(17)12-7-8-15-10-16-12/h7-8,10-11,13H,1-6,9H2/t13-/m0/s1
InChIKeyACKPTLWRXDLZOU-ZDUSSCGKSA-N
XLogP2.33
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-[2-[6-(hydroxymethyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110268996
cyclobutyl-[4-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97113868
cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939217
cyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone
CID 95817448
(3-methyl-2-pyridinyl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone
CID 124953337
2,3-dihydro-1H-inden-5-yl-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone
CID 110114784
(2-methylpyrimidin-4-yl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone
CID 124978935
cyclobutyl-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 91913578
2,3-dihydro-1,4-benzodioxin-5-yl-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone
CID 125017528
(6-fluoroisoquinolin-4-yl)-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone
CID 166384198
[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 124946102
1,6-dimethyl-3-(2-pyrimidin-4-ylpyrrolidine-1-carbonyl)pyridin-2-one
CID 110118870

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methanone (CID 95730645) is cyclobutyl-[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methanone is O=C(C1CCC1)N1CCCC[C@H]1c1ccncn1.
What is the InChIKey of cyclobutyl-[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methanone?
The InChIKey is ACKPTLWRXDLZOU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19N3O/c18-14(11-4-3-5-11)17-9-2-1-6-13(17)12-7-8-15-10-16-12/h7-8,10-11,13H,1-6,9H2/t13-/m0/s1.
What are the key properties of cyclobutyl-[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methanone?
cyclobutyl-[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methanone has a molecular weight of 245.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 95730645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).