ethyl 1-[2-methyl-6-(piperidine-1-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate

C19H28N4O3 — CID 75361098

IUPACethyl 1-[2-methyl-6-(piperidine-1-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(C(=O)N3CCCCC3)nc(C)n2)CC1
InChIInChI=1S/C19H28N4O3/c1-3-26-19(25)15-7-11-22(12-8-15)17-13-16(20-14(2)21-17)18(24)23-9-5-4-6-10-23/h13,15H,3-12H2,1-2H3
InChIKeyLPSJMSFKFQQUNE-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.19
Rot. Bonds4

About ethyl 1-[2-methyl-6-(piperidine-1-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate

ethyl 1-[2-methyl-6-(piperidine-1-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate (PubChem CID 75361098) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is ethyl 1-[2-methyl-6-(piperidine-1-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-methyl-6-(piperidine-1-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate
PubChem CID75361098
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Nameethyl 1-[2-methyl-6-(piperidine-1-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(C(=O)N3CCCCC3)nc(C)n2)CC1
InChIInChI=1S/C19H28N4O3/c1-3-26-19(25)15-7-11-22(12-8-15)17-13-16(20-14(2)21-17)18(24)23-9-5-4-6-10-23/h13,15H,3-12H2,1-2H3
InChIKeyLPSJMSFKFQQUNE-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-methyl-6-(piperidine-1-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-methyl-6-(piperidine-1-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate (CID 75361098) is ethyl 1-[2-methyl-6-(piperidine-1-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-methyl-6-(piperidine-1-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-methyl-6-(piperidine-1-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2cc(C(=O)N3CCCCC3)nc(C)n2)CC1.
What is the InChIKey of ethyl 1-[2-methyl-6-(piperidine-1-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate?
The InChIKey is LPSJMSFKFQQUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-3-26-19(25)15-7-11-22(12-8-15)17-13-16(20-14(2)21-17)18(24)23-9-5-4-6-10-23/h13,15H,3-12H2,1-2H3.
What are the key properties of ethyl 1-[2-methyl-6-(piperidine-1-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate?
ethyl 1-[2-methyl-6-(piperidine-1-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate has a molecular weight of 360.46 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-methyl-6-(piperidine-1-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate is sourced from PubChem (CID 75361098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).