N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-4-(2-methylpropoxy)piperidine-1-carboxamide

C21H32N2O4 — CID 86870999

IUPACN-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-4-(2-methylpropoxy)piperidine-1-carboxamide
SMILESCC(C)COC1CCN(C(=O)NCC(C)(C)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C21H32N2O4/c1-15(2)12-25-17-7-9-23(10-8-17)20(24)22-13-21(3,4)16-5-6-18-19(11-16)27-14-26-18/h5-6,11,15,17H,7-10,12-14H2,1-4H3,(H,22,24)
InChIKeyREZXVIBWRMMAOU-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.54
Rot. Bonds6

About N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-4-(2-methylpropoxy)piperidine-1-carboxamide

N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-4-(2-methylpropoxy)piperidine-1-carboxamide (PubChem CID 86870999) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-4-(2-methylpropoxy)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-4-(2-methylpropoxy)piperidine-1-carboxamide
PubChem CID86870999
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-4-(2-methylpropoxy)piperidine-1-carboxamide
SMILESCC(C)COC1CCN(C(=O)NCC(C)(C)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C21H32N2O4/c1-15(2)12-25-17-7-9-23(10-8-17)20(24)22-13-21(3,4)16-5-6-18-19(11-16)27-14-26-18/h5-6,11,15,17H,7-10,12-14H2,1-4H3,(H,22,24)
InChIKeyREZXVIBWRMMAOU-UHFFFAOYSA-N
XLogP3.54
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]morpholine-4-carboxamide
CID 60603703
4-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]carbamoyl]benzoic acid
CID 119183117
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119760041
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]oxirane-2-carboxamide
CID 154880133
3-amino-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]butanamide;hydrochloride
CID 119760047
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-(methylamino)acetamide
CID 115152169
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]pyrrolidine-3-carboxamide
CID 119760054
3-(hydroxymethyl)-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]pyrrolidine-1-carboxamide
CID 111444071
2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]pentanamide;hydrochloride
CID 119309892
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111210291
(2S)-2-(benzimidazol-1-yl)-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]propanamide
CID 52535794
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide
CID 119144818

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-4-(2-methylpropoxy)piperidine-1-carboxamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-4-(2-methylpropoxy)piperidine-1-carboxamide (CID 86870999) is N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-4-(2-methylpropoxy)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-4-(2-methylpropoxy)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-4-(2-methylpropoxy)piperidine-1-carboxamide is CC(C)COC1CCN(C(=O)NCC(C)(C)c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-4-(2-methylpropoxy)piperidine-1-carboxamide?
The InChIKey is REZXVIBWRMMAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-15(2)12-25-17-7-9-23(10-8-17)20(24)22-13-21(3,4)16-5-6-18-19(11-16)27-14-26-18/h5-6,11,15,17H,7-10,12-14H2,1-4H3,(H,22,24).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-4-(2-methylpropoxy)piperidine-1-carboxamide?
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-4-(2-methylpropoxy)piperidine-1-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-4-(2-methylpropoxy)piperidine-1-carboxamide is sourced from PubChem (CID 86870999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).