ethyl 4-piperidin-4-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxylate

C16H24N4O2 — CID 20855128

IUPACethyl 4-piperidin-4-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CCCC2)nc1C1CCNCC1
InChIInChI=1S/C16H24N4O2/c1-2-22-15(21)13-11-18-16(20-9-3-4-10-20)19-14(13)12-5-7-17-8-6-12/h11-12,17H,2-10H2,1H3
InChIKeyJYZCNXQVKGXNKE-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.72
Rot. Bonds4

About ethyl 4-piperidin-4-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxylate

ethyl 4-piperidin-4-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxylate (PubChem CID 20855128) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl 4-piperidin-4-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-piperidin-4-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxylate
PubChem CID20855128
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Nameethyl 4-piperidin-4-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CCCC2)nc1C1CCNCC1
InChIInChI=1S/C16H24N4O2/c1-2-22-15(21)13-11-18-16(20-9-3-4-10-20)19-14(13)12-5-7-17-8-6-12/h11-12,17H,2-10H2,1H3
InChIKeyJYZCNXQVKGXNKE-UHFFFAOYSA-N
XLogP1.72
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-piperidin-4-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-piperidin-4-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxylate (CID 20855128) is ethyl 4-piperidin-4-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-piperidin-4-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-piperidin-4-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(N2CCCC2)nc1C1CCNCC1.
What is the InChIKey of ethyl 4-piperidin-4-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxylate?
The InChIKey is JYZCNXQVKGXNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-2-22-15(21)13-11-18-16(20-9-3-4-10-20)19-14(13)12-5-7-17-8-6-12/h11-12,17H,2-10H2,1H3.
What are the key properties of ethyl 4-piperidin-4-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxylate?
ethyl 4-piperidin-4-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-piperidin-4-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 20855128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).