methyl 1-[(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)carbamoyl]piperidine-3-carboxylate

C18H24N2O5 — CID 122150628

IUPACmethyl 1-[(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)carbamoyl]piperidine-3-carboxylate
SMILESCCC1(C)Oc2ccc(NC(=O)N3CCCC(C(=O)OC)C3)cc2O1
InChIInChI=1S/C18H24N2O5/c1-4-18(2)24-14-8-7-13(10-15(14)25-18)19-17(22)20-9-5-6-12(11-20)16(21)23-3/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,19,22)
InChIKeyIGCLYMMVVIRXKA-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.00
Rot. Bonds3

About methyl 1-[(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)carbamoyl]piperidine-3-carboxylate

methyl 1-[(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)carbamoyl]piperidine-3-carboxylate (PubChem CID 122150628) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is methyl 1-[(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)carbamoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)carbamoyl]piperidine-3-carboxylate
PubChem CID122150628
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Namemethyl 1-[(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)carbamoyl]piperidine-3-carboxylate
SMILESCCC1(C)Oc2ccc(NC(=O)N3CCCC(C(=O)OC)C3)cc2O1
InChIInChI=1S/C18H24N2O5/c1-4-18(2)24-14-8-7-13(10-15(14)25-18)19-17(22)20-9-5-6-12(11-20)16(21)23-3/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,19,22)
InChIKeyIGCLYMMVVIRXKA-UHFFFAOYSA-N
XLogP3.00
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-[(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)carbamoyl]piperidine-3-carboxylate with MolForge

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Related Compounds

methyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 78924438
methyl (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039467
methyl (3S)-1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039547
(3S,4S)-1-[(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122091010
ethyl (3S)-1-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]carbamoyl]piperidine-3-carboxylate
CID 51945622
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-hydroxypiperidine-1-carboxamide
CID 75461125
ethyl 1-[(3-chloro-4-methylphenyl)carbamoyl]piperidine-3-carboxylate
CID 3261941
methyl (3R)-1-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]carbamoyl]piperidine-3-carboxylate
CID 100866593
(4R)-N-(2,2-diethyl-1,3-benzodioxol-5-yl)-4-hydroxy-4-methylazepane-1-carboxamide
CID 125139785
ethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate
CID 51664598
ethyl 1-[(3-fluoro-4-methylphenyl)carbamoyl]piperidine-3-carboxylate
CID 3860710
ethyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 44759797

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)carbamoyl]piperidine-3-carboxylate?
The IUPAC name of methyl 1-[(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)carbamoyl]piperidine-3-carboxylate (CID 122150628) is methyl 1-[(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)carbamoyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)carbamoyl]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)carbamoyl]piperidine-3-carboxylate is CCC1(C)Oc2ccc(NC(=O)N3CCCC(C(=O)OC)C3)cc2O1.
What is the InChIKey of methyl 1-[(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)carbamoyl]piperidine-3-carboxylate?
The InChIKey is IGCLYMMVVIRXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-4-18(2)24-14-8-7-13(10-15(14)25-18)19-17(22)20-9-5-6-12(11-20)16(21)23-3/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,19,22).
What are the key properties of methyl 1-[(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)carbamoyl]piperidine-3-carboxylate?
methyl 1-[(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)carbamoyl]piperidine-3-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)carbamoyl]piperidine-3-carboxylate is sourced from PubChem (CID 122150628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).