methyl 1-[2-(cyclopropylmethylamino)acetyl]piperidine-2-carboxylate

C13H22N2O3 — CID 54870307

IUPACmethyl 1-[2-(cyclopropylmethylamino)acetyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)CNCC1CC1
InChIInChI=1S/C13H22N2O3/c1-18-13(17)11-4-2-3-7-15(11)12(16)9-14-8-10-5-6-10/h10-11,14H,2-9H2,1H3
InChIKeyCTKDUDJBGOQXDW-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.54
Rot. Bonds5

About methyl 1-[2-(cyclopropylmethylamino)acetyl]piperidine-2-carboxylate

methyl 1-[2-(cyclopropylmethylamino)acetyl]piperidine-2-carboxylate (PubChem CID 54870307) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is methyl 1-[2-(cyclopropylmethylamino)acetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(cyclopropylmethylamino)acetyl]piperidine-2-carboxylate
PubChem CID54870307
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Namemethyl 1-[2-(cyclopropylmethylamino)acetyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)CNCC1CC1
InChIInChI=1S/C13H22N2O3/c1-18-13(17)11-4-2-3-7-15(11)12(16)9-14-8-10-5-6-10/h10-11,14H,2-9H2,1H3
InChIKeyCTKDUDJBGOQXDW-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate
CID 103737516
1-[2-(cyclopropylmethylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 61157492
methyl (2R)-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylate
CID 79832834
methyl 1-(4-hydroxypentanoyl)piperidine-2-carboxylate
CID 79200751
methyl (2R)-1-(cyclopentanecarbonyl)piperidine-2-carboxylate
CID 79833170
methyl (2R)-1-(cyclopropanecarbonyl)piperidine-2-carboxylate
CID 79833593
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(cyclopropylmethylamino)ethanone
CID 122080228
methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
CID 62590989
methyl 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxylate
CID 79607684
methyl 1-(5-aminohexanoyl)piperidine-2-carboxylate
CID 82851617
methyl 1-(2,2-difluoroacetyl)piperidine-2-carboxylate
CID 103514360
methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylate
CID 112603577

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(cyclopropylmethylamino)acetyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(cyclopropylmethylamino)acetyl]piperidine-2-carboxylate (CID 54870307) is methyl 1-[2-(cyclopropylmethylamino)acetyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(cyclopropylmethylamino)acetyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(cyclopropylmethylamino)acetyl]piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)CNCC1CC1.
What is the InChIKey of methyl 1-[2-(cyclopropylmethylamino)acetyl]piperidine-2-carboxylate?
The InChIKey is CTKDUDJBGOQXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-18-13(17)11-4-2-3-7-15(11)12(16)9-14-8-10-5-6-10/h10-11,14H,2-9H2,1H3.
What are the key properties of methyl 1-[2-(cyclopropylmethylamino)acetyl]piperidine-2-carboxylate?
methyl 1-[2-(cyclopropylmethylamino)acetyl]piperidine-2-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(cyclopropylmethylamino)acetyl]piperidine-2-carboxylate is sourced from PubChem (CID 54870307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).