methyl (3S)-1-[[1-[(2R)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylate

C15H24N4O4 — CID 129359157

IUPACmethyl (3S)-1-[[1-[(2R)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylate
SMILESCOC[C@@H](C)n1ccc(NC(=O)N2CCC[C@H](C(=O)OC)C2)n1
InChIInChI=1S/C15H24N4O4/c1-11(10-22-2)19-8-6-13(17-19)16-15(21)18-7-4-5-12(9-18)14(20)23-3/h6,8,11-12H,4-5,7,9-10H2,1-3H3,(H,16,17,21)/t11-,12+/m1/s1
InChIKeyLVKXSRBRJIOBGR-NEPJUHHUSA-N
MW324.38 g/mol
LogP1.51
Rot. Bonds5

About methyl (3S)-1-[[1-[(2R)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylate

methyl (3S)-1-[[1-[(2R)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylate (PubChem CID 129359157) has the molecular formula C15H24N4O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is methyl (3S)-1-[[1-[(2R)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-[[1-[(2R)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylate
PubChem CID129359157
Molecular FormulaC15H24N4O4
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC Namemethyl (3S)-1-[[1-[(2R)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylate
SMILESCOC[C@@H](C)n1ccc(NC(=O)N2CCC[C@H](C(=O)OC)C2)n1
InChIInChI=1S/C15H24N4O4/c1-11(10-22-2)19-8-6-13(17-19)16-15(21)18-7-4-5-12(9-18)14(20)23-3/h6,8,11-12H,4-5,7,9-10H2,1-3H3,(H,16,17,21)/t11-,12+/m1/s1
InChIKeyLVKXSRBRJIOBGR-NEPJUHHUSA-N
XLogP1.51
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (3S)-1-[[1-[(2R)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylate with MolForge

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Related Compounds

(3S)-N-[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]-3-methylsulfanylazepane-1-carboxamide
CID 124621844
4-[[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]benzoic acid
CID 129470308
methyl (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039467
ethyl 1-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidine-3-carboxylate
CID 47014440
1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]urea
CID 99840336
4-[[1-(1-methoxypropan-2-yl)pyrazol-3-yl]carbamoylamino]-5-phenylpentanoic acid
CID 122090813
methyl (3S)-1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039547
methyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 78924438
methyl 1-[(2,4-difluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 78915679
methyl (3S)-1-(4-methylpentanoyl)piperidine-3-carboxylate
CID 78919532
4-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 115534957
methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-[[1-[(2R)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-[[1-[(2R)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylate (CID 129359157) is methyl (3S)-1-[[1-[(2R)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-[[1-[(2R)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-[[1-[(2R)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylate is COC[C@@H](C)n1ccc(NC(=O)N2CCC[C@H](C(=O)OC)C2)n1.
What is the InChIKey of methyl (3S)-1-[[1-[(2R)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylate?
The InChIKey is LVKXSRBRJIOBGR-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H24N4O4/c1-11(10-22-2)19-8-6-13(17-19)16-15(21)18-7-4-5-12(9-18)14(20)23-3/h6,8,11-12H,4-5,7,9-10H2,1-3H3,(H,16,17,21)/t11-,12+/m1/s1.
What are the key properties of methyl (3S)-1-[[1-[(2R)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylate?
methyl (3S)-1-[[1-[(2R)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylate has a molecular weight of 324.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-[[1-[(2R)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylate is sourced from PubChem (CID 129359157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).