methyl 1-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]piperidine-4-carboxylate

C17H29N3O5 — CID 8754691

IUPACmethyl 1-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CN2CCC(C(=O)OC)CC2)CC1
InChIInChI=1S/C17H29N3O5/c1-3-25-17(23)20-10-6-14(7-11-20)18-15(21)12-19-8-4-13(5-9-19)16(22)24-2/h13-14H,3-12H2,1-2H3,(H,18,21)
InChIKeyNYQRWYCBAKEKKZ-UHFFFAOYSA-N
MW355.44 g/mol
LogP0.61
Rot. Bonds5

About methyl 1-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]piperidine-4-carboxylate

methyl 1-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 8754691) has the molecular formula C17H29N3O5 and a molecular weight of 355.44 g/mol. Its IUPAC name is methyl 1-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
PubChem CID8754691
Molecular FormulaC17H29N3O5
Molecular Weight355.44 g/mol
Exact Mass355.21
IUPAC Namemethyl 1-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CN2CCC(C(=O)OC)CC2)CC1
InChIInChI=1S/C17H29N3O5/c1-3-25-17(23)20-10-6-14(7-11-20)18-15(21)12-19-8-4-13(5-9-19)16(22)24-2/h13-14H,3-12H2,1-2H3,(H,18,21)
InChIKeyNYQRWYCBAKEKKZ-UHFFFAOYSA-N
XLogP0.61
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate
CID 55403884
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
methyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 60672509
N-(1-acetylpiperidin-4-yl)-2-(4-methoxypiperidin-1-yl)acetamide
CID 78847459
ethyl 4-[(3-oxo-3-piperidin-1-ylpropanoyl)amino]piperidine-1-carboxylate
CID 108942361
ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate
CID 110756025
ethyl 4-(piperidine-1-carbonylamino)piperidine-1-carboxylate
CID 108987901
ethyl 4-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 51165095
ethyl 4-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]piperidine-1-carboxylate
CID 8616599
ethyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 60673370
ethyl 4-[[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108944536
ethyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]piperidine-1-carboxylate
CID 110689912

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]piperidine-4-carboxylate (CID 8754691) is methyl 1-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]piperidine-4-carboxylate is CCOC(=O)N1CCC(NC(=O)CN2CCC(C(=O)OC)CC2)CC1.
What is the InChIKey of methyl 1-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is NYQRWYCBAKEKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O5/c1-3-25-17(23)20-10-6-14(7-11-20)18-15(21)12-19-8-4-13(5-9-19)16(22)24-2/h13-14H,3-12H2,1-2H3,(H,18,21).
What are the key properties of methyl 1-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]piperidine-4-carboxylate?
methyl 1-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 355.44 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 8754691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).