2-[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone

C19H30N6O — CID 45221374

IUPAC2-[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCN(c2cc(C3CCNCC3)ncn2)CC1)N1CCCC1
InChIInChI=1S/C19H30N6O/c26-19(25-7-1-2-8-25)14-23-9-11-24(12-10-23)18-13-17(21-15-22-18)16-3-5-20-6-4-16/h13,15-16,20H,1-12,14H2
InChIKeyVWNQMEPPMCXCLJ-UHFFFAOYSA-N
MW358.49 g/mol
LogP0.69
Rot. Bonds4

About 2-[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 45221374) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID45221374
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name2-[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCN(c2cc(C3CCNCC3)ncn2)CC1)N1CCCC1
InChIInChI=1S/C19H30N6O/c26-19(25-7-1-2-8-25)14-23-9-11-24(12-10-23)18-13-17(21-15-22-18)16-3-5-20-6-4-16/h13,15-16,20H,1-12,14H2
InChIKeyVWNQMEPPMCXCLJ-UHFFFAOYSA-N
XLogP0.69
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone (CID 45221374) is 2-[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone is O=C(CN1CCN(c2cc(C3CCNCC3)ncn2)CC1)N1CCCC1.
What is the InChIKey of 2-[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is VWNQMEPPMCXCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O/c26-19(25-7-1-2-8-25)14-23-9-11-24(12-10-23)18-13-17(21-15-22-18)16-3-5-20-6-4-16/h13,15-16,20H,1-12,14H2.
What are the key properties of 2-[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 358.49 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 45221374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).