cyclopropyl-[4-[4-(5,6-dimethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone

C20H29N5O2 — CID 72891133

IUPACcyclopropyl-[4-[4-(5,6-dimethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone
SMILESCc1ncnc(N2CCN(C(=O)C3CCN(C(=O)C4CC4)CC3)CC2)c1C
InChIInChI=1S/C20H29N5O2/c1-14-15(2)21-13-22-18(14)23-9-11-25(12-10-23)20(27)17-5-7-24(8-6-17)19(26)16-3-4-16/h13,16-17H,3-12H2,1-2H3
InChIKeyQDJANYVYXIXQPS-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.39
Rot. Bonds3

About cyclopropyl-[4-[4-(5,6-dimethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone

cyclopropyl-[4-[4-(5,6-dimethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone (PubChem CID 72891133) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is cyclopropyl-[4-[4-(5,6-dimethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[4-(5,6-dimethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone
PubChem CID72891133
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Namecyclopropyl-[4-[4-(5,6-dimethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone
SMILESCc1ncnc(N2CCN(C(=O)C3CCN(C(=O)C4CC4)CC3)CC2)c1C
InChIInChI=1S/C20H29N5O2/c1-14-15(2)21-13-22-18(14)23-9-11-25(12-10-23)20(27)17-5-7-24(8-6-17)19(26)16-3-4-16/h13,16-17H,3-12H2,1-2H3
InChIKeyQDJANYVYXIXQPS-UHFFFAOYSA-N
XLogP1.39
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[4-(5,6-dimethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[4-(5,6-dimethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone (CID 72891133) is cyclopropyl-[4-[4-(5,6-dimethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[4-(5,6-dimethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[4-(5,6-dimethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone is Cc1ncnc(N2CCN(C(=O)C3CCN(C(=O)C4CC4)CC3)CC2)c1C.
What is the InChIKey of cyclopropyl-[4-[4-(5,6-dimethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone?
The InChIKey is QDJANYVYXIXQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-14-15(2)21-13-22-18(14)23-9-11-25(12-10-23)20(27)17-5-7-24(8-6-17)19(26)16-3-4-16/h13,16-17H,3-12H2,1-2H3.
What are the key properties of cyclopropyl-[4-[4-(5,6-dimethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone?
cyclopropyl-[4-[4-(5,6-dimethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone has a molecular weight of 371.49 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[4-(5,6-dimethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone is sourced from PubChem (CID 72891133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).