ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate

C12H22N4O4 — CID 43086420

IUPACethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(C)C(=O)NC(N)=O)CC1
InChIInChI=1S/C12H22N4O4/c1-3-20-12(19)16-6-4-9(5-7-16)14-8(2)10(17)15-11(13)18/h8-9,14H,3-7H2,1-2H3,(H3,13,15,17,18)
InChIKeyNBRBPMLTIQJVPE-UHFFFAOYSA-N
MW286.33 g/mol
LogP-0.22
Rot. Bonds4

About ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate

ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate (PubChem CID 43086420) has the molecular formula C12H22N4O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate
PubChem CID43086420
Molecular FormulaC12H22N4O4
Molecular Weight286.33 g/mol
Exact Mass286.16
IUPAC Nameethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(C)C(=O)NC(N)=O)CC1
InChIInChI=1S/C12H22N4O4/c1-3-20-12(19)16-6-4-9(5-7-16)14-8(2)10(17)15-11(13)18/h8-9,14H,3-7H2,1-2H3,(H3,13,15,17,18)
InChIKeyNBRBPMLTIQJVPE-UHFFFAOYSA-N
XLogP-0.22
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate
CID 43196751
ethyl 4-[[(1S)-1-cycloheptylethyl]amino]piperidine-1-carboxylate
CID 81390651
ethyl 4-[(1-amino-1-oxobutan-2-yl)amino]piperidine-1-carboxylate
CID 62899266
ethyl 4-(2-bromopropanoylamino)piperidine-1-carboxylate
CID 103693309
ethyl 4-[(3-hydroxy-3-methylbutan-2-yl)amino]piperidine-1-carboxylate
CID 65333122
ethyl 4-(2-chloropropanoylcarbamoylamino)piperidine-1-carboxylate
CID 43328963
ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
ethyl 4-[(3-amino-2-methyl-3-oxopropyl)amino]piperidine-1-carboxylate
CID 43312132
ethyl 4-(2-cyclopropylpropylamino)piperidine-1-carboxylate
CID 115690872
ethyl 4-[[(2S)-1-hydroxybutan-2-yl]amino]piperidine-1-carboxylate
CID 104980485
2-[(1-ethoxycarbonylpiperidin-4-yl)amino]butanoic acid
CID 64667745
ethyl 4-[[(2S)-2-aminobutanoyl]amino]piperidine-1-carboxylate
CID 79025288

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate (CID 43086420) is ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(C)C(=O)NC(N)=O)CC1.
What is the InChIKey of ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate?
The InChIKey is NBRBPMLTIQJVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O4/c1-3-20-12(19)16-6-4-9(5-7-16)14-8(2)10(17)15-11(13)18/h8-9,14H,3-7H2,1-2H3,(H3,13,15,17,18).
What are the key properties of ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate?
ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 286.33 g/mol, XLogP of -0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 43086420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).