3-(1,3-benzodioxol-5-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide

C19H22N4O3 — CID 77087086

IUPAC3-(1,3-benzodioxol-5-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide
SMILESO=C(CCc1ccc2c(c1)OCO2)NC1CCCN(c2cnccn2)C1
InChIInChI=1S/C19H22N4O3/c24-19(6-4-14-3-5-16-17(10-14)26-13-25-16)22-15-2-1-9-23(12-15)18-11-20-7-8-21-18/h3,5,7-8,10-11,15H,1-2,4,6,9,12-13H2,(H,22,24)
InChIKeyNTWOZRGUSRZDSI-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.92
Rot. Bonds5

About 3-(1,3-benzodioxol-5-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide

3-(1,3-benzodioxol-5-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide (PubChem CID 77087086) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide
PubChem CID77087086
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide
SMILESO=C(CCc1ccc2c(c1)OCO2)NC1CCCN(c2cnccn2)C1
InChIInChI=1S/C19H22N4O3/c24-19(6-4-14-3-5-16-17(10-14)26-13-25-16)22-15-2-1-9-23(12-15)18-11-20-7-8-21-18/h3,5,7-8,10-11,15H,1-2,4,6,9,12-13H2,(H,22,24)
InChIKeyNTWOZRGUSRZDSI-UHFFFAOYSA-N
XLogP1.92
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,4-difluorophenyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide
CID 90648731
3-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 43051485
3-(1,3-benzodioxol-5-yl)-N-[(3S,5R)-1-(5-fluoropyrimidin-2-yl)-5-hydroxypiperidin-3-yl]propanamide
CID 166614034
N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 99971826
(6S)-1-(1,3-benzodioxol-5-ylmethyl)-4-pyrazin-2-yl-1,4-diazepan-6-ol
CID 99974790
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38792182
N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 99981987
2-(2-oxoazepan-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
CID 118782684
N-(1-benzylpiperidin-3-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 86945147
N-cyclooctyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 86944075
3-(1,3-benzodioxol-5-yl)-N-(3-methylcyclopentyl)propanamide
CID 114549652
N-[1-(2-bromophenyl)pyrrolidin-3-yl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 86944672

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide (CID 77087086) is 3-(1,3-benzodioxol-5-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide is O=C(CCc1ccc2c(c1)OCO2)NC1CCCN(c2cnccn2)C1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide?
The InChIKey is NTWOZRGUSRZDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c24-19(6-4-14-3-5-16-17(10-14)26-13-25-16)22-15-2-1-9-23(12-15)18-11-20-7-8-21-18/h3,5,7-8,10-11,15H,1-2,4,6,9,12-13H2,(H,22,24).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide?
3-(1,3-benzodioxol-5-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide has a molecular weight of 354.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide is sourced from PubChem (CID 77087086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).