methyl (2S)-2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylcarbamoyl]piperidine-1-carboxylate

C15H22N4O4 — CID 137148249

IUPACmethyl (2S)-2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylcarbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC[C@H]1C(=O)NCCc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C15H22N4O4/c1-10-9-13(20)18-12(17-10)6-7-16-14(21)11-5-3-4-8-19(11)15(22)23-2/h9,11H,3-8H2,1-2H3,(H,16,21)(H,17,18,20)/t11-/m0/s1
InChIKeyUXYZINSFNSWWFB-NSHDSACASA-N
MW322.37 g/mol
LogP0.36
Rot. Bonds4

About methyl (2S)-2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylcarbamoyl]piperidine-1-carboxylate

methyl (2S)-2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylcarbamoyl]piperidine-1-carboxylate (PubChem CID 137148249) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is methyl (2S)-2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylcarbamoyl]piperidine-1-carboxylate
PubChem CID137148249
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Namemethyl (2S)-2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylcarbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC[C@H]1C(=O)NCCc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C15H22N4O4/c1-10-9-13(20)18-12(17-10)6-7-16-14(21)11-5-3-4-8-19(11)15(22)23-2/h9,11H,3-8H2,1-2H3,(H,16,21)(H,17,18,20)/t11-/m0/s1
InChIKeyUXYZINSFNSWWFB-NSHDSACASA-N
XLogP0.36
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 91763287
(3S)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-1-carboxamide
CID 137065733
methyl 2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propylcarbamoyl]piperidine-1-carboxylate
CID 91784960
(3R)-2-ethyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 136756274
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]spiro[2.5]octane-2-carboxamide
CID 136993210
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(propoxymethyl)pyrrolidine-1-carboxamide
CID 137025280
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
CID 135990316
(1S,3S,8R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
CID 136930406
methyl N-[(2R)-1-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate
CID 136867852
methyl (2R)-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 95598034
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 136703686
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(3-phenylpyrrolidin-1-yl)acetamide
CID 136607690

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of methyl (2S)-2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylcarbamoyl]piperidine-1-carboxylate (CID 137148249) is methyl (2S)-2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl (2S)-2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for methyl (2S)-2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylcarbamoyl]piperidine-1-carboxylate is COC(=O)N1CCCC[C@H]1C(=O)NCCc1nc(C)cc(=O)[nH]1.
What is the InChIKey of methyl (2S)-2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is UXYZINSFNSWWFB-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N4O4/c1-10-9-13(20)18-12(17-10)6-7-16-14(21)11-5-3-4-8-19(11)15(22)23-2/h9,11H,3-8H2,1-2H3,(H,16,21)(H,17,18,20)/t11-/m0/s1.
What are the key properties of methyl (2S)-2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylcarbamoyl]piperidine-1-carboxylate?
methyl (2S)-2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 322.37 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 137148249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).