methyl 2-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate

C17H24N2O5 — CID 78885489

IUPACmethyl 2-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)C1CCN(C(=O)c2ccoc2)CC1)C(C)C
InChIInChI=1S/C17H24N2O5/c1-12(2)19(10-15(20)23-3)17(22)13-4-7-18(8-5-13)16(21)14-6-9-24-11-14/h6,9,11-13H,4-5,7-8,10H2,1-3H3
InChIKeyVAASJXXHVBRMNI-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.54
Rot. Bonds5

About methyl 2-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate

methyl 2-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate (PubChem CID 78885489) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is methyl 2-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate
PubChem CID78885489
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Namemethyl 2-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)C1CCN(C(=O)c2ccoc2)CC1)C(C)C
InChIInChI=1S/C17H24N2O5/c1-12(2)19(10-15(20)23-3)17(22)13-4-7-18(8-5-13)16(21)14-6-9-24-11-14/h6,9,11-13H,4-5,7-8,10H2,1-3H3
InChIKeyVAASJXXHVBRMNI-UHFFFAOYSA-N
XLogP1.54
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate
CID 78877755
1-(furan-3-carbonyl)-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134059017
1-(furan-3-carbonyl)-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 86828642
methyl 2-[cyclopentanecarbonyl(propan-2-yl)amino]acetate
CID 55028562
N-[(2R)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992601
N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992604
N-cycloheptyl-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 134048834
N-cyclopropyl-1-(furan-3-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 35734927
N-benzyl-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 35552274
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 35699759
methyl 2-[piperidine-4-carbonyl(propan-2-yl)amino]acetate
CID 54871718

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate (CID 78885489) is methyl 2-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate is COC(=O)CN(C(=O)C1CCN(C(=O)c2ccoc2)CC1)C(C)C.
What is the InChIKey of methyl 2-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate?
The InChIKey is VAASJXXHVBRMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-12(2)19(10-15(20)23-3)17(22)13-4-7-18(8-5-13)16(21)14-6-9-24-11-14/h6,9,11-13H,4-5,7-8,10H2,1-3H3.
What are the key properties of methyl 2-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate?
methyl 2-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate has a molecular weight of 336.39 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 78885489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).