methyl 1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate

C13H22N2O3 — CID 47006242

IUPACmethyl 1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CN2CCCC2)CC1
InChIInChI=1S/C13H22N2O3/c1-18-13(17)11-4-8-15(9-5-11)12(16)10-14-6-2-3-7-14/h11H,2-10H2,1H3
InChIKeyFRFQNZSKNDPIDF-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.49
Rot. Bonds3

About methyl 1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate

methyl 1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate (PubChem CID 47006242) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is methyl 1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate
PubChem CID47006242
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Namemethyl 1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CN2CCCC2)CC1
InChIInChI=1S/C13H22N2O3/c1-18-13(17)11-4-8-15(9-5-11)12(16)10-14-6-2-3-7-14/h11H,2-10H2,1H3
InChIKeyFRFQNZSKNDPIDF-UHFFFAOYSA-N
XLogP0.49
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate
CID 55505875
methyl 1-[2-[(3R)-3-ethylsulfanylazepan-1-yl]acetyl]piperidine-4-carboxylate
CID 95623030
methyl (3S)-1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-3-carboxylate
CID 79037659
methyl 1-propanoylpiperidine-4-carboxylate
CID 4777957
methyl 1-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]piperidine-4-carboxylate
CID 79874187
methyl 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate
CID 55353705
methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylate
CID 112730542
methyl 1-(5-hydroxypentanoyl)piperidine-4-carboxylate
CID 79199255
2-[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl]sulfanylacetic acid
CID 43091410
ethyl 1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carboxylate
CID 79322433
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 130618835

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate (CID 47006242) is methyl 1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)CN2CCCC2)CC1.
What is the InChIKey of methyl 1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate?
The InChIKey is FRFQNZSKNDPIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-18-13(17)11-4-8-15(9-5-11)12(16)10-14-6-2-3-7-14/h11H,2-10H2,1H3.
What are the key properties of methyl 1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate?
methyl 1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate is sourced from PubChem (CID 47006242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).