methyl 4-(oxan-4-ylmethylcarbamoyl)piperazine-1-carboxylate

C13H23N3O4 — CID 108913044

IUPACmethyl 4-(oxan-4-ylmethylcarbamoyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)NCC2CCOCC2)CC1
InChIInChI=1S/C13H23N3O4/c1-19-13(18)16-6-4-15(5-7-16)12(17)14-10-11-2-8-20-9-3-11/h11H,2-10H2,1H3,(H,14,17)
InChIKeyCKPUHYLSLNUKBO-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.51
Rot. Bonds2

About methyl 4-(oxan-4-ylmethylcarbamoyl)piperazine-1-carboxylate

methyl 4-(oxan-4-ylmethylcarbamoyl)piperazine-1-carboxylate (PubChem CID 108913044) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 4-(oxan-4-ylmethylcarbamoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(oxan-4-ylmethylcarbamoyl)piperazine-1-carboxylate
PubChem CID108913044
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Namemethyl 4-(oxan-4-ylmethylcarbamoyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)NCC2CCOCC2)CC1
InChIInChI=1S/C13H23N3O4/c1-19-13(18)16-6-4-15(5-7-16)12(17)14-10-11-2-8-20-9-3-11/h11H,2-10H2,1H3,(H,14,17)
InChIKeyCKPUHYLSLNUKBO-UHFFFAOYSA-N
XLogP0.51
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(oxan-4-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid
CID 63707581
N-(oxan-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108912953
4-methylsulfonyl-N-[[(3S)-oxolan-3-yl]methyl]piperazine-1-carboxamide
CID 94124307
4-(morpholine-4-carbonyl)-N-(piperidin-4-ylmethyl)piperazine-1-carboxamide
CID 167899614
ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide
CID 144702610
methyl 4-methylpiperidine-1-carboxylate;4-methyloxane
CID 90741122
methyl morpholine-4-carboxylate
CID 12575354
tert-butyl 4-(cyclopentylmethylcarbamoyl)piperazine-1-carboxylate
CID 108902696
N-(cyclopropylmethyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 55793748
ethyl 1-(oxan-4-ylmethylcarbamoyl)piperidine-3-carboxylate
CID 108912857
2-methyl-1-(oxan-4-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 79383290
methyl 4-(2,2-dimethylpropylcarbamoyl)piperazine-1-carboxylate
CID 110810861

Frequently Asked Questions

What is the IUPAC name of methyl 4-(oxan-4-ylmethylcarbamoyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(oxan-4-ylmethylcarbamoyl)piperazine-1-carboxylate (CID 108913044) is methyl 4-(oxan-4-ylmethylcarbamoyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(oxan-4-ylmethylcarbamoyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(oxan-4-ylmethylcarbamoyl)piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)NCC2CCOCC2)CC1.
What is the InChIKey of methyl 4-(oxan-4-ylmethylcarbamoyl)piperazine-1-carboxylate?
The InChIKey is CKPUHYLSLNUKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-19-13(18)16-6-4-15(5-7-16)12(17)14-10-11-2-8-20-9-3-11/h11H,2-10H2,1H3,(H,14,17).
What are the key properties of methyl 4-(oxan-4-ylmethylcarbamoyl)piperazine-1-carboxylate?
methyl 4-(oxan-4-ylmethylcarbamoyl)piperazine-1-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(oxan-4-ylmethylcarbamoyl)piperazine-1-carboxylate is sourced from PubChem (CID 108913044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).