(4-methyl-2-oxoimidazolidin-1-yl) piperidine-1-carboxylate

C10H17N3O3 — CID 122455710

IUPAC(4-methyl-2-oxoimidazolidin-1-yl) piperidine-1-carboxylate
SMILESCC1CN(OC(=O)N2CCCCC2)C(=O)N1
InChIInChI=1S/C10H17N3O3/c1-8-7-13(9(14)11-8)16-10(15)12-5-3-2-4-6-12/h8H,2-7H2,1H3,(H,11,14)
InChIKeyBXNBALZSYDALOL-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.94
Rot. Bonds1

About (4-methyl-2-oxoimidazolidin-1-yl) piperidine-1-carboxylate

(4-methyl-2-oxoimidazolidin-1-yl) piperidine-1-carboxylate (PubChem CID 122455710) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is (4-methyl-2-oxoimidazolidin-1-yl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-methyl-2-oxoimidazolidin-1-yl) piperidine-1-carboxylate
PubChem CID122455710
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name(4-methyl-2-oxoimidazolidin-1-yl) piperidine-1-carboxylate
SMILESCC1CN(OC(=O)N2CCCCC2)C(=O)N1
InChIInChI=1S/C10H17N3O3/c1-8-7-13(9(14)11-8)16-10(15)12-5-3-2-4-6-12/h8H,2-7H2,1H3,(H,11,14)
InChIKeyBXNBALZSYDALOL-UHFFFAOYSA-N
XLogP0.94
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-5-methylpyrazol-1-yl) piperidine-1-carboxylate
CID 178117788
piperidine-1-carboperoxoic acid
CID 18434275
methyl (3S)-3-[(3S)-3,4-dimethyl-5-oxopiperazine-1-carbonyl]piperidine-1-carboxylate
CID 100740870
ethyl azacycloundecane-1-carboxylate
CID 67670496
(cyclopropylmethylamino) piperidine-1-carboxylate
CID 142606376
methyl 4-methylazocane-1-carboxylate
CID 91583832
[(3S)-3-methylpiperazin-1-yl]-piperidin-1-ylmethanone
CID 104976372
2-cyclohexylpropan-2-yl piperidine-1-carboxylate
CID 59148790
(4-cyclopentylpiperazin-1-yl) pyrrolidine-1-carboxylate
CID 91217548
methyl 3-acetylpiperidine-1-carboxylate
CID 59841149
(5-methylpiperazin-2-yl)-piperidin-1-ylmethanone
CID 63103119
azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-oxoimidazolidin-1-yl) piperidine-1-carboxylate?
The IUPAC name of (4-methyl-2-oxoimidazolidin-1-yl) piperidine-1-carboxylate (CID 122455710) is (4-methyl-2-oxoimidazolidin-1-yl) piperidine-1-carboxylate.
What is the SMILES notation for (4-methyl-2-oxoimidazolidin-1-yl) piperidine-1-carboxylate?
The canonical SMILES for (4-methyl-2-oxoimidazolidin-1-yl) piperidine-1-carboxylate is CC1CN(OC(=O)N2CCCCC2)C(=O)N1.
What is the InChIKey of (4-methyl-2-oxoimidazolidin-1-yl) piperidine-1-carboxylate?
The InChIKey is BXNBALZSYDALOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-8-7-13(9(14)11-8)16-10(15)12-5-3-2-4-6-12/h8H,2-7H2,1H3,(H,11,14).
What are the key properties of (4-methyl-2-oxoimidazolidin-1-yl) piperidine-1-carboxylate?
(4-methyl-2-oxoimidazolidin-1-yl) piperidine-1-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-oxoimidazolidin-1-yl) piperidine-1-carboxylate is sourced from PubChem (CID 122455710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).