N-(1,3-benzodioxol-5-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide

C18H26N2O3 — CID 87620260

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide
SMILESCC1(C)CC(N(C=O)Cc2ccc3c(c2)OCO3)CC(C)(C)N1
InChIInChI=1S/C18H26N2O3/c1-17(2)8-14(9-18(3,4)19-17)20(11-21)10-13-5-6-15-16(7-13)23-12-22-15/h5-7,11,14,19H,8-10,12H2,1-4H3
InChIKeyVVKKLLBMVDOAFD-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.68
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide

N-(1,3-benzodioxol-5-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide (PubChem CID 87620260) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide
PubChem CID87620260
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide
SMILESCC1(C)CC(N(C=O)Cc2ccc3c(c2)OCO3)CC(C)(C)N1
InChIInChI=1S/C18H26N2O3/c1-17(2)8-14(9-18(3,4)19-17)20(11-21)10-13-5-6-15-16(7-13)23-12-22-15/h5-7,11,14,19H,8-10,12H2,1-4H3
InChIKeyVVKKLLBMVDOAFD-UHFFFAOYSA-N
XLogP2.68
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108508541
N-(1,3-benzodioxol-5-ylmethyl)-N-methylazetidin-3-amine
CID 66188232
N-[[4-[[hydroxy-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hydroxylamine
CID 22902695
2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 75531892
1-(1,3-benzodioxol-5-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 107165772
(1S)-N-(1,3-benzodioxol-5-ylmethyl)-2,2-dichloro-N-methylcyclopropane-1-carboxamide
CID 39952466
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2,2-dimethylpropanamide
CID 42724635
3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]piperidine-2,6-dione
CID 130431885
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide
CID 42723770
N-(1,3-benzodioxol-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79352053
N-[4-[di(propan-2-yl)amino]butyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide
CID 150663725
5-(nitrosomethyl)-1,3-benzodioxole
CID 54405067

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide (CID 87620260) is N-(1,3-benzodioxol-5-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide is CC1(C)CC(N(C=O)Cc2ccc3c(c2)OCO3)CC(C)(C)N1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide?
The InChIKey is VVKKLLBMVDOAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-17(2)8-14(9-18(3,4)19-17)20(11-21)10-13-5-6-15-16(7-13)23-12-22-15/h5-7,11,14,19H,8-10,12H2,1-4H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide has a molecular weight of 318.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide is sourced from PubChem (CID 87620260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).