3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide

C22H27N3O3 — CID 42595602

IUPAC3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCC1CCN(Cc2cccc3c2OCO3)CC1)NCc1cccnc1
InChIInChI=1S/C22H27N3O3/c26-21(24-14-18-3-2-10-23-13-18)7-6-17-8-11-25(12-9-17)15-19-4-1-5-20-22(19)28-16-27-20/h1-5,10,13,17H,6-9,11-12,14-16H2,(H,24,26)
InChIKeyFUSXAJDDRIXAMJ-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.12
Rot. Bonds7

About 3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide

3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 42595602) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID42595602
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCC1CCN(Cc2cccc3c2OCO3)CC1)NCc1cccnc1
InChIInChI=1S/C22H27N3O3/c26-21(24-14-18-3-2-10-23-13-18)7-6-17-8-11-25(12-9-17)15-19-4-1-5-20-22(19)28-16-27-20/h1-5,10,13,17H,6-9,11-12,14-16H2,(H,24,26)
InChIKeyFUSXAJDDRIXAMJ-UHFFFAOYSA-N
XLogP3.12
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-3-ylmethyl)-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]propanamide
CID 25288418
3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 42288785
1-[(3R)-1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 129400777
3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 45236973
3-[1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 42521304
N-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-4-ylpropanamide
CID 62211455
3-[1-(4-oxo-4-phenylbutanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 25289998
N-(2-methoxyethyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide
CID 42532364
3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 45190596
3-[1-(3-phenoxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 42516784
3-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 56719004
3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 42525374

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide (CID 42595602) is 3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide is O=C(CCC1CCN(Cc2cccc3c2OCO3)CC1)NCc1cccnc1.
What is the InChIKey of 3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is FUSXAJDDRIXAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c26-21(24-14-18-3-2-10-23-13-18)7-6-17-8-11-25(12-9-17)15-19-4-1-5-20-22(19)28-16-27-20/h1-5,10,13,17H,6-9,11-12,14-16H2,(H,24,26).
What are the key properties of 3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 381.48 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 42595602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).