ethyl 4-[[6-[(3-fluorophenyl)carbamoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate

C19H22FN5O3 — CID 109352750

IUPACethyl 4-[[6-[(3-fluorophenyl)carbamoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(C(=O)Nc3cccc(F)c3)ncn2)CC1
InChIInChI=1S/C19H22FN5O3/c1-2-28-19(27)25-8-6-14(7-9-25)23-17-11-16(21-12-22-17)18(26)24-15-5-3-4-13(20)10-15/h3-5,10-12,14H,2,6-9H2,1H3,(H,24,26)(H,21,22,23)
InChIKeyRPAUWPLHJLDMBK-UHFFFAOYSA-N
MW387.42 g/mol
LogP2.90
Rot. Bonds5

About ethyl 4-[[6-[(3-fluorophenyl)carbamoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate

ethyl 4-[[6-[(3-fluorophenyl)carbamoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate (PubChem CID 109352750) has the molecular formula C19H22FN5O3 and a molecular weight of 387.42 g/mol. Its IUPAC name is ethyl 4-[[6-[(3-fluorophenyl)carbamoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[6-[(3-fluorophenyl)carbamoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate
PubChem CID109352750
Molecular FormulaC19H22FN5O3
Molecular Weight387.42 g/mol
Exact Mass387.17
IUPAC Nameethyl 4-[[6-[(3-fluorophenyl)carbamoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(C(=O)Nc3cccc(F)c3)ncn2)CC1
InChIInChI=1S/C19H22FN5O3/c1-2-28-19(27)25-8-6-14(7-9-25)23-17-11-16(21-12-22-17)18(26)24-15-5-3-4-13(20)10-15/h3-5,10-12,14H,2,6-9H2,1H3,(H,24,26)(H,21,22,23)
InChIKeyRPAUWPLHJLDMBK-UHFFFAOYSA-N
XLogP2.90
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[6-[(3-fluorophenyl)carbamoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[[6-[(3-methoxyphenyl)carbamoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 109352748
ethyl 4-[[6-[(2,6-dimethylphenyl)carbamoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 109352740
ethyl 4-[[6-(propan-2-ylcarbamoyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 109338885
ethyl 4-[[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112875235
ethyl 4-[[4-(3-fluoroanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109215860
ethyl 4-[[6-(cyclohexylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112856231
ethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112862849
ethyl 4-[4-[(3-fluorophenyl)carbamoyl]pyrimidin-2-yl]piperazine-1-carboxylate
CID 109310266
ethyl 4-[[4-(3-fluoroanilino)-6-methylpyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112923261
ethyl 4-[[6-(3-methoxyanilino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109352783
ethyl 4-[[2-[(3-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 109138917
ethyl 4-[[2-[(3-cyanophenyl)carbamoyl]-4-pyridinyl]amino]piperidine-1-carboxylate
CID 109215897

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-[(3-fluorophenyl)carbamoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[6-[(3-fluorophenyl)carbamoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate (CID 109352750) is ethyl 4-[[6-[(3-fluorophenyl)carbamoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[6-[(3-fluorophenyl)carbamoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[6-[(3-fluorophenyl)carbamoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2cc(C(=O)Nc3cccc(F)c3)ncn2)CC1.
What is the InChIKey of ethyl 4-[[6-[(3-fluorophenyl)carbamoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The InChIKey is RPAUWPLHJLDMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O3/c1-2-28-19(27)25-8-6-14(7-9-25)23-17-11-16(21-12-22-17)18(26)24-15-5-3-4-13(20)10-15/h3-5,10-12,14H,2,6-9H2,1H3,(H,24,26)(H,21,22,23).
What are the key properties of ethyl 4-[[6-[(3-fluorophenyl)carbamoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate?
ethyl 4-[[6-[(3-fluorophenyl)carbamoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate has a molecular weight of 387.42 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-[(3-fluorophenyl)carbamoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109352750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).