N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-benzoylpiperidine-4-carboxamide

C22H24N2O4 — CID 110615621

IUPACN-[2-(1,3-benzodioxol-5-yl)ethyl]-1-benzoylpiperidine-4-carboxamide
SMILESO=C(NCCc1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H24N2O4/c25-21(23-11-8-16-6-7-19-20(14-16)28-15-27-19)17-9-12-24(13-10-17)22(26)18-4-2-1-3-5-18/h1-7,14,17H,8-13,15H2,(H,23,25)
InChIKeyVYBAXDHKHWJMMT-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.63
Rot. Bonds5

About N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-benzoylpiperidine-4-carboxamide

N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-benzoylpiperidine-4-carboxamide (PubChem CID 110615621) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-benzoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-1-benzoylpiperidine-4-carboxamide
PubChem CID110615621
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-1-benzoylpiperidine-4-carboxamide
SMILESO=C(NCCc1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H24N2O4/c25-21(23-11-8-16-6-7-19-20(14-16)28-15-27-19)17-9-12-24(13-10-17)22(26)18-4-2-1-3-5-18/h1-7,14,17H,8-13,15H2,(H,23,25)
InChIKeyVYBAXDHKHWJMMT-UHFFFAOYSA-N
XLogP2.63
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzoyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110298322
3-(1,3-benzodioxol-5-yl)-1-(4-benzoylpiperazin-1-yl)propan-1-one
CID 17479881
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 113004370
1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 27670954
4-(1,3-benzodioxole-5-carbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 23819713
1-(1,3-benzodioxole-5-carbonyl)-N-(3-phenylpropyl)azetidine-3-carboxamide
CID 90512779
1-(1,3-benzodioxole-5-carbonyl)-N-[2-(4-fluorophenyl)ethyl]azetidine-3-carboxamide
CID 90512937
N-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine-1-carboxamide
CID 113217356
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110606566
cis-(1S,2R)-2-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125153991
1-benzoyl-N-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide
CID 21030345
1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 42881491

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-benzoylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-benzoylpiperidine-4-carboxamide (CID 110615621) is N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-benzoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-benzoylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-benzoylpiperidine-4-carboxamide is O=C(NCCc1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-benzoylpiperidine-4-carboxamide?
The InChIKey is VYBAXDHKHWJMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c25-21(23-11-8-16-6-7-19-20(14-16)28-15-27-19)17-9-12-24(13-10-17)22(26)18-4-2-1-3-5-18/h1-7,14,17H,8-13,15H2,(H,23,25).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-benzoylpiperidine-4-carboxamide?
N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-benzoylpiperidine-4-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-benzoylpiperidine-4-carboxamide is sourced from PubChem (CID 110615621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).