1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone

C15H20N2O3 — CID 110473360

IUPAC1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C15H20N2O3/c1-16(2)12-5-7-17(8-6-12)15(18)11-3-4-13-14(9-11)20-10-19-13/h3-4,9,12H,5-8,10H2,1-2H3
InChIKeyKKBVDXVBMFPNMM-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.58
Rot. Bonds2

About 1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone

1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 110473360) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
PubChem CID110473360
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C15H20N2O3/c1-16(2)12-5-7-17(8-6-12)15(18)11-3-4-13-14(9-11)20-10-19-13/h3-4,9,12H,5-8,10H2,1-2H3
InChIKeyKKBVDXVBMFPNMM-UHFFFAOYSA-N
XLogP1.58
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzodioxol-5-yl-(4-methylazepan-1-yl)methanone
CID 84582371
1,3-benzodioxol-5-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80546008
1,3-benzodioxol-5-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465868
2,3-dihydro-1-benzofuran-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 86985261
methyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamate
CID 110821565
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-ethylbutanamide
CID 110821563
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 110821561
ethyl 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate
CID 660812
1,3-benzodioxol-5-yl-[4-[(1S)-1-cyclopropylethyl]piperazin-1-yl]methanone
CID 129370589
[4-(aminooxymethyl)piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone
CID 39377171
(4-amino-3-methylpiperidin-1-yl)-(1,3-benzodioxol-5-yl)methanone;hydrochloride
CID 119592466
1,3-benzodioxol-5-yl-(4-propan-2-ylpiperazin-1-yl)methanone
CID 37299966

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone (CID 110473360) is 1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone is CN(C)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is KKBVDXVBMFPNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-16(2)12-5-7-17(8-6-12)15(18)11-3-4-13-14(9-11)20-10-19-13/h3-4,9,12H,5-8,10H2,1-2H3.
What are the key properties of 1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone?
1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 276.34 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 110473360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).