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

C19H26N2O3 — CID 121418475

IUPACN-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methylpiperidin-4-yl]cyclopropanecarboxamide
SMILESCC1(NC(=O)C2CC2)CCN(C[C@H]2COc3ccccc3O2)CC1
InChIInChI=1S/C19H26N2O3/c1-19(20-18(22)14-6-7-14)8-10-21(11-9-19)12-15-13-23-16-4-2-3-5-17(16)24-15/h2-5,14-15H,6-13H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyLPYSQHPSDYPTHD-HNNXBMFYSA-N
MW330.43 g/mol
LogP2.21
Rot. Bonds4

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

N-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methylpiperidin-4-yl]cyclopropanecarboxamide (PubChem CID 121418475) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methylpiperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methylpiperidin-4-yl]cyclopropanecarboxamide
PubChem CID121418475
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methylpiperidin-4-yl]cyclopropanecarboxamide
SMILESCC1(NC(=O)C2CC2)CCN(C[C@H]2COc3ccccc3O2)CC1
InChIInChI=1S/C19H26N2O3/c1-19(20-18(22)14-6-7-14)8-10-21(11-9-19)12-15-13-23-16-4-2-3-5-17(16)24-15/h2-5,14-15H,6-13H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyLPYSQHPSDYPTHD-HNNXBMFYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,4-dimethylpiperidine-4-carboxamide
CID 121418421
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methylpiperidine-4-carboxamide
CID 175893248
N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methylpiperidin-4-yl]-N-methylacetamide
CID 121418596
N-[1-[[(3S)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methylpiperidin-4-yl]acetamide
CID 121418598
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine
CID 6040
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol
CID 60643705
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559215
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559214
N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methylpiperidin-2-yl]cyclopropanecarboxamide
CID 121418659
lithium (3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methylpiperidine-3-carboxylate
CID 66727429
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-one
CID 13253821
(4-chlorophenyl)-[1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]methanone
CID 92967979

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methylpiperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methylpiperidin-4-yl]cyclopropanecarboxamide (CID 121418475) is N-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methylpiperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methylpiperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methylpiperidin-4-yl]cyclopropanecarboxamide is CC1(NC(=O)C2CC2)CCN(C[C@H]2COc3ccccc3O2)CC1.
What is the InChIKey of N-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methylpiperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is LPYSQHPSDYPTHD-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-19(20-18(22)14-6-7-14)8-10-21(11-9-19)12-15-13-23-16-4-2-3-5-17(16)24-15/h2-5,14-15H,6-13H2,1H3,(H,20,22)/t15-/m0/s1.
What are the key properties of N-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methylpiperidin-4-yl]cyclopropanecarboxamide?
N-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methylpiperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methylpiperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 121418475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).