ethyl 4-[[(2R)-1-ethylpiperidin-2-yl]methylcarbamoylamino]piperidine-1-carboxylate

C17H32N4O3 — CID 95765263

IUPACethyl 4-[[(2R)-1-ethylpiperidin-2-yl]methylcarbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)NC[C@H]2CCCCN2CC)CC1
InChIInChI=1S/C17H32N4O3/c1-3-20-10-6-5-7-15(20)13-18-16(22)19-14-8-11-21(12-9-14)17(23)24-4-2/h14-15H,3-13H2,1-2H3,(H2,18,19,22)/t15-/m1/s1
InChIKeyGHIMQZDTRRVGQX-OAHLLOKOSA-N
MW340.47 g/mol
LogP1.78
Rot. Bonds5

About ethyl 4-[[(2R)-1-ethylpiperidin-2-yl]methylcarbamoylamino]piperidine-1-carboxylate

ethyl 4-[[(2R)-1-ethylpiperidin-2-yl]methylcarbamoylamino]piperidine-1-carboxylate (PubChem CID 95765263) has the molecular formula C17H32N4O3 and a molecular weight of 340.47 g/mol. Its IUPAC name is ethyl 4-[[(2R)-1-ethylpiperidin-2-yl]methylcarbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(2R)-1-ethylpiperidin-2-yl]methylcarbamoylamino]piperidine-1-carboxylate
PubChem CID95765263
Molecular FormulaC17H32N4O3
Molecular Weight340.47 g/mol
Exact Mass340.25
IUPAC Nameethyl 4-[[(2R)-1-ethylpiperidin-2-yl]methylcarbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)NC[C@H]2CCCCN2CC)CC1
InChIInChI=1S/C17H32N4O3/c1-3-20-10-6-5-7-15(20)13-18-16(22)19-14-8-11-21(12-9-14)17(23)24-4-2/h14-15H,3-13H2,1-2H3,(H2,18,19,22)/t15-/m1/s1
InChIKeyGHIMQZDTRRVGQX-OAHLLOKOSA-N
XLogP1.78
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111328685
ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate
CID 47103610
ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108523558
1-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)urea
CID 71976524
ethyl 4-(piperidine-1-carbonylamino)piperidine-1-carboxylate
CID 108987901
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64816503
ethyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoylamino]piperidine-1-carboxylate
CID 108864537
ethyl 4-[[N'-[(1-butylpiperidin-2-yl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111086509
ethyl 4-[[2-(2-ethylpiperidin-1-yl)-3,4-dioxocyclobuten-1-yl]amino]piperidine-1-carboxylate
CID 46260369
ethyl 4-[[2-[(2S)-2-ethylpiperidin-1-yl]-3,4-dioxocyclobuten-1-yl]amino]piperidine-1-carboxylate
CID 92720641
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
ethyl 4-[2-(cyclopropylcarbamoylamino)acetyl]piperazine-1-carboxylate
CID 110305640

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2R)-1-ethylpiperidin-2-yl]methylcarbamoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[(2R)-1-ethylpiperidin-2-yl]methylcarbamoylamino]piperidine-1-carboxylate (CID 95765263) is ethyl 4-[[(2R)-1-ethylpiperidin-2-yl]methylcarbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(2R)-1-ethylpiperidin-2-yl]methylcarbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[(2R)-1-ethylpiperidin-2-yl]methylcarbamoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)NC[C@H]2CCCCN2CC)CC1.
What is the InChIKey of ethyl 4-[[(2R)-1-ethylpiperidin-2-yl]methylcarbamoylamino]piperidine-1-carboxylate?
The InChIKey is GHIMQZDTRRVGQX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H32N4O3/c1-3-20-10-6-5-7-15(20)13-18-16(22)19-14-8-11-21(12-9-14)17(23)24-4-2/h14-15H,3-13H2,1-2H3,(H2,18,19,22)/t15-/m1/s1.
What are the key properties of ethyl 4-[[(2R)-1-ethylpiperidin-2-yl]methylcarbamoylamino]piperidine-1-carboxylate?
ethyl 4-[[(2R)-1-ethylpiperidin-2-yl]methylcarbamoylamino]piperidine-1-carboxylate has a molecular weight of 340.47 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(2R)-1-ethylpiperidin-2-yl]methylcarbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 95765263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).