ethyl 4-[2-(2-methylpropylcarbamoylamino)acetyl]piperazine-1-carboxylate

C14H26N4O4 — CID 110625492

IUPACethyl 4-[2-(2-methylpropylcarbamoylamino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNC(=O)NCC(C)C)CC1
InChIInChI=1S/C14H26N4O4/c1-4-22-14(21)18-7-5-17(6-8-18)12(19)10-16-13(20)15-9-11(2)3/h11H,4-10H2,1-3H3,(H2,15,16,20)
InChIKeyAGHZHNYRVXYMPM-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.24
Rot. Bonds5

About ethyl 4-[2-(2-methylpropylcarbamoylamino)acetyl]piperazine-1-carboxylate

ethyl 4-[2-(2-methylpropylcarbamoylamino)acetyl]piperazine-1-carboxylate (PubChem CID 110625492) has the molecular formula C14H26N4O4 and a molecular weight of 314.39 g/mol. Its IUPAC name is ethyl 4-[2-(2-methylpropylcarbamoylamino)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2-methylpropylcarbamoylamino)acetyl]piperazine-1-carboxylate
PubChem CID110625492
Molecular FormulaC14H26N4O4
Molecular Weight314.39 g/mol
Exact Mass314.20
IUPAC Nameethyl 4-[2-(2-methylpropylcarbamoylamino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNC(=O)NCC(C)C)CC1
InChIInChI=1S/C14H26N4O4/c1-4-22-14(21)18-7-5-17(6-8-18)12(19)10-16-13(20)15-9-11(2)3/h11H,4-10H2,1-3H3,(H2,15,16,20)
InChIKeyAGHZHNYRVXYMPM-UHFFFAOYSA-N
XLogP0.24
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-(cyclopropylcarbamoylamino)acetyl]piperazine-1-carboxylate
CID 110305640
ethyl 4-[3-(2-methylpropylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 109012603
ethyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate
CID 54773405
ethyl 4-[1-(2-methylpropylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108971227
ethyl 4-[2-[2-(2-methoxyphenyl)ethylcarbamoylamino]acetyl]piperazine-1-carboxylate
CID 110625494
ethyl 4-[3-oxo-3-(propan-2-ylamino)propanoyl]piperazine-1-carboxylate
CID 108940832
ethyl 4-[2-(ethylsulfonylamino)acetyl]piperazine-1-carboxylate
CID 110285439
ethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate
CID 54916262
ethyl 4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-1-carboxylate
CID 78914960
ethyl 4-[2-(adamantane-1-carbonylamino)acetyl]piperazine-1-carboxylate
CID 3971663
ethyl 4-(3-methoxy-3-oxopropanoyl)piperazine-1-carboxylate
CID 94692085
3-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]-2-methylpropanoic acid
CID 107877477

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-methylpropylcarbamoylamino)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2-methylpropylcarbamoylamino)acetyl]piperazine-1-carboxylate (CID 110625492) is ethyl 4-[2-(2-methylpropylcarbamoylamino)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2-methylpropylcarbamoylamino)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2-methylpropylcarbamoylamino)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CNC(=O)NCC(C)C)CC1.
What is the InChIKey of ethyl 4-[2-(2-methylpropylcarbamoylamino)acetyl]piperazine-1-carboxylate?
The InChIKey is AGHZHNYRVXYMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O4/c1-4-22-14(21)18-7-5-17(6-8-18)12(19)10-16-13(20)15-9-11(2)3/h11H,4-10H2,1-3H3,(H2,15,16,20).
What are the key properties of ethyl 4-[2-(2-methylpropylcarbamoylamino)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(2-methylpropylcarbamoylamino)acetyl]piperazine-1-carboxylate has a molecular weight of 314.39 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2-methylpropylcarbamoylamino)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 110625492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).