ethyl 1-(6-morpholin-4-ylpyrimidine-4-carbonyl)piperidine-4-carboxylate

C17H24N4O4 — CID 91816380

IUPACethyl 1-(6-morpholin-4-ylpyrimidine-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(N3CCOCC3)ncn2)CC1
InChIInChI=1S/C17H24N4O4/c1-2-25-17(23)13-3-5-21(6-4-13)16(22)14-11-15(19-12-18-14)20-7-9-24-10-8-20/h11-13H,2-10H2,1H3
InChIKeyBVFZPPZCDPFCAT-UHFFFAOYSA-N
MW348.40 g/mol
LogP0.73
Rot. Bonds4

About ethyl 1-(6-morpholin-4-ylpyrimidine-4-carbonyl)piperidine-4-carboxylate

ethyl 1-(6-morpholin-4-ylpyrimidine-4-carbonyl)piperidine-4-carboxylate (PubChem CID 91816380) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is ethyl 1-(6-morpholin-4-ylpyrimidine-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-morpholin-4-ylpyrimidine-4-carbonyl)piperidine-4-carboxylate
PubChem CID91816380
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Nameethyl 1-(6-morpholin-4-ylpyrimidine-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(N3CCOCC3)ncn2)CC1
InChIInChI=1S/C17H24N4O4/c1-2-25-17(23)13-3-5-21(6-4-13)16(22)14-11-15(19-12-18-14)20-7-9-24-10-8-20/h11-13H,2-10H2,1H3
InChIKeyBVFZPPZCDPFCAT-UHFFFAOYSA-N
XLogP0.73
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-morpholin-4-ylpyrimidine-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(6-morpholin-4-ylpyrimidine-4-carbonyl)piperidine-4-carboxylate (CID 91816380) is ethyl 1-(6-morpholin-4-ylpyrimidine-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(6-morpholin-4-ylpyrimidine-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(6-morpholin-4-ylpyrimidine-4-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cc(N3CCOCC3)ncn2)CC1.
What is the InChIKey of ethyl 1-(6-morpholin-4-ylpyrimidine-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is BVFZPPZCDPFCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-2-25-17(23)13-3-5-21(6-4-13)16(22)14-11-15(19-12-18-14)20-7-9-24-10-8-20/h11-13H,2-10H2,1H3.
What are the key properties of ethyl 1-(6-morpholin-4-ylpyrimidine-4-carbonyl)piperidine-4-carboxylate?
ethyl 1-(6-morpholin-4-ylpyrimidine-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-morpholin-4-ylpyrimidine-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 91816380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).