(4-benzylpiperidin-1-yl)-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone

C22H28N4O2 — CID 109365399

IUPAC(4-benzylpiperidin-1-yl)-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC(Cc3ccccc3)CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C22H28N4O2/c1-17-23-20(16-21(24-17)25-11-13-28-14-12-25)22(27)26-9-7-19(8-10-26)15-18-5-3-2-4-6-18/h2-6,16,19H,7-15H2,1H3
InChIKeyOFIPZACRFWSRRD-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.72
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone

(4-benzylpiperidin-1-yl)-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone (PubChem CID 109365399) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone
PubChem CID109365399
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name(4-benzylpiperidin-1-yl)-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC(Cc3ccccc3)CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C22H28N4O2/c1-17-23-20(16-21(24-17)25-11-13-28-14-12-25)22(27)26-9-7-19(8-10-26)15-18-5-3-2-4-6-18/h2-6,16,19H,7-15H2,1H3
InChIKeyOFIPZACRFWSRRD-UHFFFAOYSA-N
XLogP2.72
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-benzylpiperidin-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373405
[2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365554
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109365378
(4-benzylpiperidin-1-yl)-[2-methyl-6-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109361237
3,4-dihydro-1H-isoquinolin-2-yl-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109365362
[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365513
(4-benzylpiperidin-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone
CID 109228617
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109365384
[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364088
4-[6-(4-benzylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 109345607
[2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 75538840
(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 110685777

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone (CID 109365399) is (4-benzylpiperidin-1-yl)-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone is Cc1nc(C(=O)N2CCC(Cc3ccccc3)CC2)cc(N2CCOCC2)n1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone?
The InChIKey is OFIPZACRFWSRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-17-23-20(16-21(24-17)25-11-13-28-14-12-25)22(27)26-9-7-19(8-10-26)15-18-5-3-2-4-6-18/h2-6,16,19H,7-15H2,1H3.
What are the key properties of (4-benzylpiperidin-1-yl)-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone?
(4-benzylpiperidin-1-yl)-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone has a molecular weight of 380.49 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone is sourced from PubChem (CID 109365399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).