methyl (2R)-1-[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]piperidine-2-carboxylate

C15H23N3O3 — CID 79835554

IUPACmethyl (2R)-1-[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1CC(=O)NC(C)(C#N)C1CC1
InChIInChI=1S/C15H23N3O3/c1-15(10-16,11-6-7-11)17-13(19)9-18-8-4-3-5-12(18)14(20)21-2/h11-12H,3-9H2,1-2H3,(H,17,19)/t12-,15?/m1/s1
InChIKeyZMPGNXNSDSIHNU-KEKZHRQWSA-N
MW293.37 g/mol
LogP0.82
Rot. Bonds5

About methyl (2R)-1-[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]piperidine-2-carboxylate

methyl (2R)-1-[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]piperidine-2-carboxylate (PubChem CID 79835554) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl (2R)-1-[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]piperidine-2-carboxylate
PubChem CID79835554
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Namemethyl (2R)-1-[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1CC(=O)NC(C)(C#N)C1CC1
InChIInChI=1S/C15H23N3O3/c1-15(10-16,11-6-7-11)17-13(19)9-18-8-4-3-5-12(18)14(20)21-2/h11-12H,3-9H2,1-2H3,(H,17,19)/t12-,15?/m1/s1
InChIKeyZMPGNXNSDSIHNU-KEKZHRQWSA-N
XLogP0.82
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
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N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 11923842
methyl (2S)-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]piperidine-2-carboxylate (CID 79835554) is methyl (2R)-1-[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1CC(=O)NC(C)(C#N)C1CC1.
What is the InChIKey of methyl (2R)-1-[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]piperidine-2-carboxylate?
The InChIKey is ZMPGNXNSDSIHNU-KEKZHRQWSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(10-16,11-6-7-11)17-13(19)9-18-8-4-3-5-12(18)14(20)21-2/h11-12H,3-9H2,1-2H3,(H,17,19)/t12-,15?/m1/s1.
What are the key properties of methyl (2R)-1-[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]piperidine-2-carboxylate?
methyl (2R)-1-[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]piperidine-2-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]piperidine-2-carboxylate is sourced from PubChem (CID 79835554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).