ethyl 4-[(6-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]piperidine-1-carboxylate

C17H25N5O3 — CID 91628612

IUPACethyl 4-[(6-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(N3CCCC3)ncn2)CC1
InChIInChI=1S/C17H25N5O3/c1-2-25-17(24)22-9-5-13(6-10-22)20-16(23)14-11-15(19-12-18-14)21-7-3-4-8-21/h11-13H,2-10H2,1H3,(H,20,23)
InChIKeyKPQVDDISLRAWDA-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.43
Rot. Bonds4

About ethyl 4-[(6-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(6-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 91628612) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is ethyl 4-[(6-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(6-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]piperidine-1-carboxylate
PubChem CID91628612
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Nameethyl 4-[(6-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(N3CCCC3)ncn2)CC1
InChIInChI=1S/C17H25N5O3/c1-2-25-17(24)22-9-5-13(6-10-22)20-16(23)14-11-15(19-12-18-14)21-7-3-4-8-21/h11-13H,2-10H2,1H3,(H,20,23)
InChIKeyKPQVDDISLRAWDA-UHFFFAOYSA-N
XLogP1.43
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(6-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]piperidine-1-carboxylate (CID 91628612) is ethyl 4-[(6-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(6-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(6-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cc(N3CCCC3)ncn2)CC1.
What is the InChIKey of ethyl 4-[(6-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is KPQVDDISLRAWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-2-25-17(24)22-9-5-13(6-10-22)20-16(23)14-11-15(19-12-18-14)21-7-3-4-8-21/h11-13H,2-10H2,1H3,(H,20,23).
What are the key properties of ethyl 4-[(6-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(6-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 347.42 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 91628612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).