methyl 1-[2-(carbamoylamino)propanoyl]piperidine-4-carboxylate

C11H19N3O4 — CID 43404807

IUPACmethyl 1-[2-(carbamoylamino)propanoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C(C)NC(N)=O)CC1
InChIInChI=1S/C11H19N3O4/c1-7(13-11(12)17)9(15)14-5-3-8(4-6-14)10(16)18-2/h7-8H,3-6H2,1-2H3,(H3,12,13,17)
InChIKeyKCKVXJBFHRVFOQ-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.55
Rot. Bonds3

About methyl 1-[2-(carbamoylamino)propanoyl]piperidine-4-carboxylate

methyl 1-[2-(carbamoylamino)propanoyl]piperidine-4-carboxylate (PubChem CID 43404807) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 1-[2-(carbamoylamino)propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(carbamoylamino)propanoyl]piperidine-4-carboxylate
PubChem CID43404807
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Namemethyl 1-[2-(carbamoylamino)propanoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C(C)NC(N)=O)CC1
InChIInChI=1S/C11H19N3O4/c1-7(13-11(12)17)9(15)14-5-3-8(4-6-14)10(16)18-2/h7-8H,3-6H2,1-2H3,(H3,12,13,17)
InChIKeyKCKVXJBFHRVFOQ-UHFFFAOYSA-N
XLogP-0.55
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate
CID 648128
methyl (2S)-3-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]butanoate
CID 944219
Methyl 1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 2465072
Methyl 1-[2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 4329589
Methyl 1-(2-amino-2-oxoethyl)-4-piperidinecarboxylate
CID 1490557
Methyl 1-[(cyclohexylamino)carbonyl]-4-piperidinecarboxylate
CID 894690
Ethyl 1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 4880073
Methyl 1-(butylcarbamoyl)piperidine-4-carboxylate
CID 6461551
Ethyl 1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 42996458
Methyl 1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]piperidin-1-ium-4-carboxylate
CID 8754720
Methyl 1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]piperidine-4-carboxylate
CID 8754721
Ethyl 1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]piperidin-1-ium-4-carboxylate
CID 8773025

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(carbamoylamino)propanoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(carbamoylamino)propanoyl]piperidine-4-carboxylate (CID 43404807) is methyl 1-[2-(carbamoylamino)propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(carbamoylamino)propanoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(carbamoylamino)propanoyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)C(C)NC(N)=O)CC1.
What is the InChIKey of methyl 1-[2-(carbamoylamino)propanoyl]piperidine-4-carboxylate?
The InChIKey is KCKVXJBFHRVFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-7(13-11(12)17)9(15)14-5-3-8(4-6-14)10(16)18-2/h7-8H,3-6H2,1-2H3,(H3,12,13,17).
What are the key properties of methyl 1-[2-(carbamoylamino)propanoyl]piperidine-4-carboxylate?
methyl 1-[2-(carbamoylamino)propanoyl]piperidine-4-carboxylate has a molecular weight of 257.29 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(carbamoylamino)propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 43404807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).