[1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidin-4-yl]-morpholin-4-ylmethanone

C19H30N6O2 — CID 53165904

IUPAC[1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCN1CCN(c2ncncc2N2CCC(C(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C19H30N6O2/c1-22-6-8-24(9-7-22)18-17(14-20-15-21-18)23-4-2-16(3-5-23)19(26)25-10-12-27-13-11-25/h14-16H,2-13H2,1H3
InChIKeyJIYBACFRBPZZMJ-UHFFFAOYSA-N
MW374.49 g/mol
LogP0.30
Rot. Bonds3

About [1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidin-4-yl]-morpholin-4-ylmethanone

[1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 53165904) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is [1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID53165904
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC Name[1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCN1CCN(c2ncncc2N2CCC(C(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C19H30N6O2/c1-22-6-8-24(9-7-22)18-17(14-20-15-21-18)23-4-2-16(3-5-23)19(26)25-10-12-27-13-11-25/h14-16H,2-13H2,1H3
InChIKeyJIYBACFRBPZZMJ-UHFFFAOYSA-N
XLogP0.30
TPSA65.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidin-4-yl]-morpholin-4-ylmethanone (CID 53165904) is [1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidin-4-yl]-morpholin-4-ylmethanone is CN1CCN(c2ncncc2N2CCC(C(=O)N3CCOCC3)CC2)CC1.
What is the InChIKey of [1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is JIYBACFRBPZZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-22-6-8-24(9-7-22)18-17(14-20-15-21-18)23-4-2-16(3-5-23)19(26)25-10-12-27-13-11-25/h14-16H,2-13H2,1H3.
What are the key properties of [1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
[1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 374.49 g/mol, XLogP of 0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53165904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).