2-[4-[(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide

C18H30N6O — CID 50974744

IUPAC2-[4-[(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide
SMILESCCc1cc(NC2CCN(CC(N)=O)CC2)nc(N2CCCCC2)n1
InChIInChI=1S/C18H30N6O/c1-2-14-12-17(22-18(21-14)24-8-4-3-5-9-24)20-15-6-10-23(11-7-15)13-16(19)25/h12,15H,2-11,13H2,1H3,(H2,19,25)(H,20,21,22)
InChIKeyGMHZBLIVRPKWRF-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.39
Rot. Bonds6

About 2-[4-[(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide

2-[4-[(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide (PubChem CID 50974744) has the molecular formula C18H30N6O and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-[4-[(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide
PubChem CID50974744
Molecular FormulaC18H30N6O
Molecular Weight346.48 g/mol
Exact Mass346.25
IUPAC Name2-[4-[(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide
SMILESCCc1cc(NC2CCN(CC(N)=O)CC2)nc(N2CCCCC2)n1
InChIInChI=1S/C18H30N6O/c1-2-14-12-17(22-18(21-14)24-8-4-3-5-9-24)20-15-6-10-23(11-7-15)13-16(19)25/h12,15H,2-11,13H2,1H3,(H2,19,25)(H,20,21,22)
InChIKeyGMHZBLIVRPKWRF-UHFFFAOYSA-N
XLogP1.39
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide (CID 50974744) is 2-[4-[(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide is CCc1cc(NC2CCN(CC(N)=O)CC2)nc(N2CCCCC2)n1.
What is the InChIKey of 2-[4-[(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide?
The InChIKey is GMHZBLIVRPKWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O/c1-2-14-12-17(22-18(21-14)24-8-4-3-5-9-24)20-15-6-10-23(11-7-15)13-16(19)25/h12,15H,2-11,13H2,1H3,(H2,19,25)(H,20,21,22).
What are the key properties of 2-[4-[(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide?
2-[4-[(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide has a molecular weight of 346.48 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 50974744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).