ethyl 4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]piperidine-1-carboxylate

C15H23N5O3 — CID 30131630

IUPACethyl 4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)NNc2nc(C)cc(C)n2)CC1
InChIInChI=1S/C15H23N5O3/c1-4-23-15(22)20-7-5-12(6-8-20)13(21)18-19-14-16-10(2)9-11(3)17-14/h9,12H,4-8H2,1-3H3,(H,18,21)(H,16,17,19)
InChIKeyBEFCMMOGAIWNQU-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.41
Rot. Bonds4

About ethyl 4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]piperidine-1-carboxylate

ethyl 4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]piperidine-1-carboxylate (PubChem CID 30131630) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethyl 4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]piperidine-1-carboxylate
PubChem CID30131630
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Nameethyl 4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)NNc2nc(C)cc(C)n2)CC1
InChIInChI=1S/C15H23N5O3/c1-4-23-15(22)20-7-5-12(6-8-20)13(21)18-19-14-16-10(2)9-11(3)17-14/h9,12H,4-8H2,1-3H3,(H,18,21)(H,16,17,19)
InChIKeyBEFCMMOGAIWNQU-UHFFFAOYSA-N
XLogP1.41
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(methylcarbamoyl)piperidine-1-carboxylate
CID 60637131
ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 60726756
benzyl 4-[(4,6-dimethyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 69072738
ethyl 4-[[4-(diethylcarbamoyl)-6-methylpyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 109331937
ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate
CID 46798149
ethyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 26288905
ethyl 4-[[2-(butylamino)-6-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112908326
ethyl 4-[[4-methyl-6-(2-methylpropylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112908519
ethyl 4-[[(2,4-dichlorobenzoyl)amino]carbamoyl]piperidine-1-carboxylate
CID 24789441
tert-butyl (3R)-3-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 97176279
ethyl 4-[[3-(methoxymethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate
CID 46470868
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-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]piperidine-1-carboxylate (CID 30131630) is ethyl 4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(C(=O)NNc2nc(C)cc(C)n2)CC1.
What is the InChIKey of ethyl 4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]piperidine-1-carboxylate?
The InChIKey is BEFCMMOGAIWNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-4-23-15(22)20-7-5-12(6-8-20)13(21)18-19-14-16-10(2)9-11(3)17-14/h9,12H,4-8H2,1-3H3,(H,18,21)(H,16,17,19).
What are the key properties of ethyl 4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]piperidine-1-carboxylate?
ethyl 4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]piperidine-1-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 30131630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).