N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-propylpyrazolidine-3-carboxamide

C16H23N3O3 — CID 134019435

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-propylpyrazolidine-3-carboxamide
SMILESCCCC1CC(C(=O)NCc2ccc3c(c2)OCCO3)NN1
InChIInChI=1S/C16H23N3O3/c1-2-3-12-9-13(19-18-12)16(20)17-10-11-4-5-14-15(8-11)22-7-6-21-14/h4-5,8,12-13,18-19H,2-3,6-7,9-10H2,1H3,(H,17,20)
InChIKeyBWEYUEDJESEFKP-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.11
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-propylpyrazolidine-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-propylpyrazolidine-3-carboxamide (PubChem CID 134019435) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-propylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-propylpyrazolidine-3-carboxamide
PubChem CID134019435
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-propylpyrazolidine-3-carboxamide
SMILESCCCC1CC(C(=O)NCc2ccc3c(c2)OCCO3)NN1
InChIInChI=1S/C16H23N3O3/c1-2-3-12-9-13(19-18-12)16(20)17-10-11-4-5-14-15(8-11)22-7-6-21-14/h4-5,8,12-13,18-19H,2-3,6-7,9-10H2,1H3,(H,17,20)
InChIKeyBWEYUEDJESEFKP-UHFFFAOYSA-N
XLogP1.11
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119268706
N-(1,3-benzodioxol-5-ylmethyl)-5-(1-methylpyrrol-2-yl)pyrazolidine-3-carboxamide
CID 78081006
4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 79208078
N-(1,3-benzodioxol-5-ylmethyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605911
N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-5-propylpyrazolidine-3-carboxamide
CID 75261445
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119307661
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-oxopropanamide
CID 115175589
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethylbutanamide
CID 47097422
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)morpholine-3-carboxamide;hydrochloride
CID 119756162
(2S,4S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-methylpiperidine-4-carboxamide
CID 120626507
5-ethyl-N-(1H-indol-5-ylmethyl)pyrazolidine-3-carboxamide
CID 134128069
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-4-carboxamide
CID 98037542

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-propylpyrazolidine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-propylpyrazolidine-3-carboxamide (CID 134019435) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-propylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-propylpyrazolidine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-propylpyrazolidine-3-carboxamide is CCCC1CC(C(=O)NCc2ccc3c(c2)OCCO3)NN1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-propylpyrazolidine-3-carboxamide?
The InChIKey is BWEYUEDJESEFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-2-3-12-9-13(19-18-12)16(20)17-10-11-4-5-14-15(8-11)22-7-6-21-14/h4-5,8,12-13,18-19H,2-3,6-7,9-10H2,1H3,(H,17,20).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-propylpyrazolidine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-propylpyrazolidine-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-propylpyrazolidine-3-carboxamide is sourced from PubChem (CID 134019435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).