methyl 1-(1-cyanopropan-2-yl)piperidine-2-carboxylate

C11H18N2O2 — CID 115536923

IUPACmethyl 1-(1-cyanopropan-2-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(C)CC#N
InChIInChI=1S/C11H18N2O2/c1-9(6-7-12)13-8-4-3-5-10(13)11(14)15-2/h9-10H,3-6,8H2,1-2H3
InChIKeyZTRLPCPWMYKEPT-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.32
Rot. Bonds3

About methyl 1-(1-cyanopropan-2-yl)piperidine-2-carboxylate

methyl 1-(1-cyanopropan-2-yl)piperidine-2-carboxylate (PubChem CID 115536923) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is methyl 1-(1-cyanopropan-2-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-cyanopropan-2-yl)piperidine-2-carboxylate
PubChem CID115536923
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Namemethyl 1-(1-cyanopropan-2-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(C)CC#N
InChIInChI=1S/C11H18N2O2/c1-9(6-7-12)13-8-4-3-5-10(13)11(14)15-2/h9-10H,3-6,8H2,1-2H3
InChIKeyZTRLPCPWMYKEPT-UHFFFAOYSA-N
XLogP1.32
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-1-(1-cyanopropan-2-yl)piperidine-3-carboxylate
CID 79039548
methyl 1-(1-ethoxy-1-oxopropan-2-yl)piperidine-2-carboxylate
CID 115536932
methyl (2R)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxylate
CID 115537824
methyl 1-(2-cyanobutanoyl)piperidine-2-carboxylate
CID 113330465
methyl (2R)-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 115537909
methyl 1-(1-cyclopropylpropan-2-yl)azetidine-2-carboxylate
CID 112581488
methyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate
CID 115536975
3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butanenitrile
CID 63090584
methyl 1-(6-methylheptan-2-yl)azetidine-2-carboxylate
CID 112581368
methyl 1-(4-methylhexan-2-yl)azetidine-2-carboxylate
CID 112581502
3-(2-methoxycarbonylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114897501
methyl 1-[2-methyl-3-(methylamino)propanoyl]piperidine-2-carboxylate
CID 79202285

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-cyanopropan-2-yl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(1-cyanopropan-2-yl)piperidine-2-carboxylate (CID 115536923) is methyl 1-(1-cyanopropan-2-yl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(1-cyanopropan-2-yl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(1-cyanopropan-2-yl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C(C)CC#N.
What is the InChIKey of methyl 1-(1-cyanopropan-2-yl)piperidine-2-carboxylate?
The InChIKey is ZTRLPCPWMYKEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9(6-7-12)13-8-4-3-5-10(13)11(14)15-2/h9-10H,3-6,8H2,1-2H3.
What are the key properties of methyl 1-(1-cyanopropan-2-yl)piperidine-2-carboxylate?
methyl 1-(1-cyanopropan-2-yl)piperidine-2-carboxylate has a molecular weight of 210.28 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-cyanopropan-2-yl)piperidine-2-carboxylate is sourced from PubChem (CID 115536923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).