cyclopentyl-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C19H29N5O — CID 56700180

IUPACcyclopentyl-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)C3CCCC3)CC2)nc(N2CCCC2)n1
InChIInChI=1S/C19H29N5O/c1-15-14-17(21-19(20-15)24-8-4-5-9-24)22-10-12-23(13-11-22)18(25)16-6-2-3-7-16/h14,16H,2-13H2,1H3
InChIKeyBDOMQYKNGYAQEM-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.22
Rot. Bonds3

About cyclopentyl-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

cyclopentyl-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 56700180) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is cyclopentyl-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID56700180
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Namecyclopentyl-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)C3CCCC3)CC2)nc(N2CCCC2)n1
InChIInChI=1S/C19H29N5O/c1-15-14-17(21-19(20-15)24-8-4-5-9-24)22-10-12-23(13-11-22)18(25)16-6-2-3-7-16/h14,16H,2-13H2,1H3
InChIKeyBDOMQYKNGYAQEM-UHFFFAOYSA-N
XLogP2.22
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 56700180) is cyclopentyl-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1cc(N2CCN(C(=O)C3CCCC3)CC2)nc(N2CCCC2)n1.
What is the InChIKey of cyclopentyl-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is BDOMQYKNGYAQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-15-14-17(21-19(20-15)24-8-4-5-9-24)22-10-12-23(13-11-22)18(25)16-6-2-3-7-16/h14,16H,2-13H2,1H3.
What are the key properties of cyclopentyl-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
cyclopentyl-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 343.48 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 56700180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).