ethyl 4-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate

C19H31N5O2 — CID 112897737

IUPACethyl 4-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccnc(N3CCCCC3CC)n2)CC1
InChIInChI=1S/C19H31N5O2/c1-3-16-7-5-6-12-24(16)18-20-11-8-17(22-18)21-15-9-13-23(14-10-15)19(25)26-4-2/h8,11,15-16H,3-7,9-10,12-14H2,1-2H3,(H,20,21,22)
InChIKeyGIKPSMNOZFNRFJ-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.28
Rot. Bonds5

About ethyl 4-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate (PubChem CID 112897737) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is ethyl 4-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
PubChem CID112897737
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Nameethyl 4-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccnc(N3CCCCC3CC)n2)CC1
InChIInChI=1S/C19H31N5O2/c1-3-16-7-5-6-12-24(16)18-20-11-8-17(22-18)21-15-9-13-23(14-10-15)19(25)26-4-2/h8,11,15-16H,3-7,9-10,12-14H2,1-2H3,(H,20,21,22)
InChIKeyGIKPSMNOZFNRFJ-UHFFFAOYSA-N
XLogP3.28
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 112884037
ethyl 4-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112888116
ethyl 4-[[2-(methylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 80772893
ethyl 4-[[2-(diethylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112897729
ethyl 4-[2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112923280
ethyl 4-[[2-(2,6-diethylanilino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112897761
ethyl 4-[[2-[(2S)-2-ethylpiperidin-1-yl]-3,4-dioxocyclobuten-1-yl]amino]piperidine-1-carboxylate
CID 92720641
ethyl 4-[[2-(2-ethylpiperidin-1-yl)-3,4-dioxocyclobuten-1-yl]amino]piperidine-1-carboxylate
CID 46260369
ethyl 4-[[2-(2-methylpropylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112883388
ethyl 4-[[2-(butylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112883042
2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553615
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate (CID 112897737) is ethyl 4-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2ccnc(N3CCCCC3CC)n2)CC1.
What is the InChIKey of ethyl 4-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The InChIKey is GIKPSMNOZFNRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-3-16-7-5-6-12-24(16)18-20-11-8-17(22-18)21-15-9-13-23(14-10-15)19(25)26-4-2/h8,11,15-16H,3-7,9-10,12-14H2,1-2H3,(H,20,21,22).
What are the key properties of ethyl 4-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate has a molecular weight of 361.49 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 112897737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).