methyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamate

C15H18N2O5 — CID 110821565

IUPACmethyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C15H18N2O5/c1-20-15(19)16-11-4-6-17(7-5-11)14(18)10-2-3-12-13(8-10)22-9-21-12/h2-3,8,11H,4-7,9H2,1H3,(H,16,19)
InChIKeyLECBCKHMCQIAIY-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.38
Rot. Bonds2

About methyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamate

methyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamate (PubChem CID 110821565) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is methyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamate
PubChem CID110821565
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Namemethyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C15H18N2O5/c1-20-15(19)16-11-4-6-17(7-5-11)14(18)10-2-3-12-13(8-10)22-9-21-12/h2-3,8,11H,4-7,9H2,1H3,(H,16,19)
InChIKeyLECBCKHMCQIAIY-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-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 110821561
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557265
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2,2-dichloroacetamide
CID 108566835
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-ethylbutanamide
CID 110821563
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557334
tert-butyl N-[3-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108548290
1,3-benzodioxol-5-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465868
methyl 4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carboxylate
CID 110821823
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-4-ethoxybenzamide
CID 108551927
1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 110473360
1,3-benzodioxol-5-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80546008
methyl N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]carbamate
CID 110821660

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamate?
The IUPAC name of methyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamate (CID 110821565) is methyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamate.
What is the SMILES notation for methyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamate?
The canonical SMILES for methyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamate is COC(=O)NC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of methyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamate?
The InChIKey is LECBCKHMCQIAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-20-15(19)16-11-4-6-17(7-5-11)14(18)10-2-3-12-13(8-10)22-9-21-12/h2-3,8,11H,4-7,9H2,1H3,(H,16,19).
What are the key properties of methyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamate?
methyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamate 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 N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 110821565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).