ethyl 1-(4-carbamoyl-6-phenylpyrimidin-2-yl)piperidine-3-carboxylate

C19H22N4O3 — CID 58872663

IUPACethyl 1-(4-carbamoyl-6-phenylpyrimidin-2-yl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2nc(C(N)=O)cc(-c3ccccc3)n2)C1
InChIInChI=1S/C19H22N4O3/c1-2-26-18(25)14-9-6-10-23(12-14)19-21-15(11-16(22-19)17(20)24)13-7-4-3-5-8-13/h3-5,7-8,11,14H,2,6,9-10,12H2,1H3,(H2,20,24)
InChIKeyASRNCGXURWACPB-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.02
Rot. Bonds5

About ethyl 1-(4-carbamoyl-6-phenylpyrimidin-2-yl)piperidine-3-carboxylate

ethyl 1-(4-carbamoyl-6-phenylpyrimidin-2-yl)piperidine-3-carboxylate (PubChem CID 58872663) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is ethyl 1-(4-carbamoyl-6-phenylpyrimidin-2-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-carbamoyl-6-phenylpyrimidin-2-yl)piperidine-3-carboxylate
PubChem CID58872663
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Nameethyl 1-(4-carbamoyl-6-phenylpyrimidin-2-yl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2nc(C(N)=O)cc(-c3ccccc3)n2)C1
InChIInChI=1S/C19H22N4O3/c1-2-26-18(25)14-9-6-10-23(12-14)19-21-15(11-16(22-19)17(20)24)13-7-4-3-5-8-13/h3-5,7-8,11,14H,2,6,9-10,12H2,1H3,(H2,20,24)
InChIKeyASRNCGXURWACPB-UHFFFAOYSA-N
XLogP2.02
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(azetidin-1-yl)-6-phenylpyrimidine-4-carboxamide;2-(3,5-dimethylpiperidin-1-yl)-6-phenylpyrimidine-4-carboxamide;2-(3-methylpiperidin-1-yl)-6-phenylpyrimidine-4-carboxamide
CID 159403678
ethyl 1-(1,2,4-benzotriazin-3-yl)piperidine-3-carboxylate
CID 103204945
ethyl 1-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxylate
CID 3229991
ethyl (3R)-1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]piperidine-3-carboxylate
CID 25490906
ethyl (3R)-1-(4-pyridin-3-ylpyrimidin-2-yl)piperidine-3-carboxylate
CID 97451731
ethyl 1-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxylate
CID 3230011
ethyl (3S)-1-(5-naphthalen-1-yl-1,2,4-triazin-3-yl)piperidine-3-carboxylate
CID 25384219
ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate
CID 62005482
ethyl 1-(4-thiophen-2-ylpyrimidin-2-yl)piperidine-3-carboxylate
CID 171989103
ethyl (3R)-1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate
CID 40547748
ethyl (3S)-1-[4-[2-(4-methylphenyl)-2-oxoethoxy]-6-(2-phenylethyl)pyrimidin-2-yl]piperidine-3-carboxylate
CID 985983
ethyl 1-phthalazin-1-ylpiperidine-3-carboxylate
CID 60631772

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-carbamoyl-6-phenylpyrimidin-2-yl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(4-carbamoyl-6-phenylpyrimidin-2-yl)piperidine-3-carboxylate (CID 58872663) is ethyl 1-(4-carbamoyl-6-phenylpyrimidin-2-yl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-carbamoyl-6-phenylpyrimidin-2-yl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(4-carbamoyl-6-phenylpyrimidin-2-yl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2nc(C(N)=O)cc(-c3ccccc3)n2)C1.
What is the InChIKey of ethyl 1-(4-carbamoyl-6-phenylpyrimidin-2-yl)piperidine-3-carboxylate?
The InChIKey is ASRNCGXURWACPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-2-26-18(25)14-9-6-10-23(12-14)19-21-15(11-16(22-19)17(20)24)13-7-4-3-5-8-13/h3-5,7-8,11,14H,2,6,9-10,12H2,1H3,(H2,20,24).
What are the key properties of ethyl 1-(4-carbamoyl-6-phenylpyrimidin-2-yl)piperidine-3-carboxylate?
ethyl 1-(4-carbamoyl-6-phenylpyrimidin-2-yl)piperidine-3-carboxylate has a molecular weight of 354.41 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-carbamoyl-6-phenylpyrimidin-2-yl)piperidine-3-carboxylate is sourced from PubChem (CID 58872663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).