N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyrazolidin-4-ylbutanamide

C16H23N3O3 — CID 134127537

IUPACN-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyrazolidin-4-ylbutanamide
SMILESO=C(CCCC1CNNC1)NCCc1ccc2c(c1)OCO2
InChIInChI=1S/C16H23N3O3/c20-16(3-1-2-13-9-18-19-10-13)17-7-6-12-4-5-14-15(8-12)22-11-21-14/h4-5,8,13,18-19H,1-3,6-7,9-11H2,(H,17,20)
InChIKeyDXSMEPRSSSZLJK-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.97
Rot. Bonds7

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

N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyrazolidin-4-ylbutanamide (PubChem CID 134127537) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyrazolidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyrazolidin-4-ylbutanamide
PubChem CID134127537
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyrazolidin-4-ylbutanamide
SMILESO=C(CCCC1CNNC1)NCCc1ccc2c(c1)OCO2
InChIInChI=1S/C16H23N3O3/c20-16(3-1-2-13-9-18-19-10-13)17-7-6-12-4-5-14-15(8-12)22-11-21-14/h4-5,8,13,18-19H,1-3,6-7,9-11H2,(H,17,20)
InChIKeyDXSMEPRSSSZLJK-UHFFFAOYSA-N
XLogP0.97
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(1H-pyrazol-4-yl)butanamide
CID 72848010
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-sulfanylacetamide
CID 115167361
3-(1,3-benzodioxol-5-yl)-N-(3-hydroxypropyl)propanamide
CID 43417651
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-thiophen-2-ylpentanamide
CID 110615618
3-(1,3-benzodioxol-5-yl)-N-butylpropanamide
CID 53278203
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyridin-3-ylbutanamide
CID 110606610
2-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 110767389
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(ethylamino)acetamide
CID 115158021
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dimethylphenyl)propanamide
CID 18129704
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-piperidin-1-ylsulfonylpentanamide
CID 110615629
N-(3-cyclopentylpropyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 86944237
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-pyridin-3-ylpropanamide
CID 18117902

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyrazolidin-4-ylbutanamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyrazolidin-4-ylbutanamide (CID 134127537) is N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyrazolidin-4-ylbutanamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyrazolidin-4-ylbutanamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyrazolidin-4-ylbutanamide is O=C(CCCC1CNNC1)NCCc1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyrazolidin-4-ylbutanamide?
The InChIKey is DXSMEPRSSSZLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c20-16(3-1-2-13-9-18-19-10-13)17-7-6-12-4-5-14-15(8-12)22-11-21-14/h4-5,8,13,18-19H,1-3,6-7,9-11H2,(H,17,20).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyrazolidin-4-ylbutanamide?
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyrazolidin-4-ylbutanamide has a molecular weight of 305.38 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyrazolidin-4-ylbutanamide is sourced from PubChem (CID 134127537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).