ethyl 1-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate

C19H28N4O3 — CID 53031049

IUPACethyl 1-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2CCN(c3nccc(C)n3)CC2)CC1
InChIInChI=1S/C19H28N4O3/c1-3-26-18(25)16-7-10-22(11-8-16)17(24)15-5-12-23(13-6-15)19-20-9-4-14(2)21-19/h4,9,15-16H,3,5-8,10-13H2,1-2H3
InChIKeyVXWPUUNXKMYWCV-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.80
Rot. Bonds4

About ethyl 1-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate

ethyl 1-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate (PubChem CID 53031049) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is ethyl 1-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate
PubChem CID53031049
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Nameethyl 1-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2CCN(c3nccc(C)n3)CC2)CC1
InChIInChI=1S/C19H28N4O3/c1-3-26-18(25)16-7-10-22(11-8-16)17(24)15-5-12-23(13-6-15)19-20-9-4-14(2)21-19/h4,9,15-16H,3,5-8,10-13H2,1-2H3
InChIKeyVXWPUUNXKMYWCV-UHFFFAOYSA-N
XLogP1.80
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate (CID 53031049) is ethyl 1-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2CCN(c3nccc(C)n3)CC2)CC1.
What is the InChIKey of ethyl 1-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate?
The InChIKey is VXWPUUNXKMYWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-3-26-18(25)16-7-10-22(11-8-16)17(24)15-5-12-23(13-6-15)19-20-9-4-14(2)21-19/h4,9,15-16H,3,5-8,10-13H2,1-2H3.
What are the key properties of ethyl 1-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate?
ethyl 1-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate has a molecular weight of 360.46 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 53031049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).