N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methylpiperidin-2-yl]cyclopropanecarboxamide

C19H26N2O3 — CID 121418659

IUPACN-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methylpiperidin-2-yl]cyclopropanecarboxamide
SMILESCC1CCN(CC2COc3ccccc3O2)[C@H](NC(=O)C2CC2)C1
InChIInChI=1S/C19H26N2O3/c1-13-8-9-21(18(10-13)20-19(22)14-6-7-14)11-15-12-23-16-4-2-3-5-17(16)24-15/h2-5,13-15,18H,6-12H2,1H3,(H,20,22)/t13?,15?,18-/m0/s1
InChIKeyAFBPRBZEDUDIIU-RWKZGTHUSA-N
MW330.43 g/mol
LogP2.41
Rot. Bonds4

About N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methylpiperidin-2-yl]cyclopropanecarboxamide

N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methylpiperidin-2-yl]cyclopropanecarboxamide (PubChem CID 121418659) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methylpiperidin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methylpiperidin-2-yl]cyclopropanecarboxamide
PubChem CID121418659
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methylpiperidin-2-yl]cyclopropanecarboxamide
SMILESCC1CCN(CC2COc3ccccc3O2)[C@H](NC(=O)C2CC2)C1
InChIInChI=1S/C19H26N2O3/c1-13-8-9-21(18(10-13)20-19(22)14-6-7-14)11-15-12-23-16-4-2-3-5-17(16)24-15/h2-5,13-15,18H,6-12H2,1H3,(H,20,22)/t13?,15?,18-/m0/s1
InChIKeyAFBPRBZEDUDIIU-RWKZGTHUSA-N
XLogP2.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methylpiperidin-2-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methylpiperidin-4-yl]cyclopropanecarboxamide
CID 121418475
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methylimidazolidine-2,4,5-trione
CID 9375612
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol
CID 60643705
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-one
CID 13253821
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 86918798
1-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-N-methylpiperidine-1,4-dicarboxamide
CID 71900515
[(2S)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidin-2-yl]methanol
CID 79028441
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108520656
N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 95142240
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine
CID 6040
2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]isoindole-1,3-dione
CID 6933956
(5S)-3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 34754535

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methylpiperidin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methylpiperidin-2-yl]cyclopropanecarboxamide (CID 121418659) is N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methylpiperidin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methylpiperidin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methylpiperidin-2-yl]cyclopropanecarboxamide is CC1CCN(CC2COc3ccccc3O2)[C@H](NC(=O)C2CC2)C1.
What is the InChIKey of N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methylpiperidin-2-yl]cyclopropanecarboxamide?
The InChIKey is AFBPRBZEDUDIIU-RWKZGTHUSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13-8-9-21(18(10-13)20-19(22)14-6-7-14)11-15-12-23-16-4-2-3-5-17(16)24-15/h2-5,13-15,18H,6-12H2,1H3,(H,20,22)/t13?,15?,18-/m0/s1.
What are the key properties of N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methylpiperidin-2-yl]cyclopropanecarboxamide?
N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methylpiperidin-2-yl]cyclopropanecarboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methylpiperidin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 121418659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).