methyl 4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carboxylate

C15H18N2O5 — CID 110821823

IUPACmethyl 4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C15H18N2O5/c1-20-15(19)17-6-4-11(5-7-17)16-14(18)10-2-3-12-13(8-10)22-9-21-12/h2-3,8,11H,4-7,9H2,1H3,(H,16,18)
InChIKeyJEJSVDFSDLBJPH-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.38
Rot. Bonds2

About methyl 4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carboxylate

methyl 4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carboxylate (PubChem CID 110821823) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is methyl 4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carboxylate
PubChem CID110821823
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Namemethyl 4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C15H18N2O5/c1-20-15(19)17-6-4-11(5-7-17)16-14(18)10-2-3-12-13(8-10)22-9-21-12/h2-3,8,11H,4-7,9H2,1H3,(H,16,18)
InChIKeyJEJSVDFSDLBJPH-UHFFFAOYSA-N
XLogP1.38
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557265
N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide
CID 51194544
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557334
methyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamate
CID 110821565
2-[4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carbonyl]benzoic acid
CID 113083315
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557321
N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557309
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-4-ethoxybenzamide
CID 108551927
[4-[4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108557245
N-(1-methylsulfonylpyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide
CID 110866984
N-[(3R)-pyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 71645351
N-(4-aminocyclohexyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 71643856

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carboxylate (CID 110821823) is methyl 4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carboxylate is COC(=O)N1CCC(NC(=O)c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of methyl 4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carboxylate?
The InChIKey is JEJSVDFSDLBJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-20-15(19)17-6-4-11(5-7-17)16-14(18)10-2-3-12-13(8-10)22-9-21-12/h2-3,8,11H,4-7,9H2,1H3,(H,16,18).
What are the key properties of methyl 4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carboxylate?
methyl 4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carboxylate has a molecular weight of 306.32 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 110821823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).