2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide

C18H25N3O3 — CID 119448722

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide
SMILESO=C(NCCN1CCNCC1)C1CC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H25N3O3/c22-18(20-5-8-21-6-3-19-4-7-21)15-12-14(15)13-1-2-16-17(11-13)24-10-9-23-16/h1-2,11,14-15,19H,3-10,12H2,(H,20,22)
InChIKeySTMNBKHBCREATN-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.58
Rot. Bonds5

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide (PubChem CID 119448722) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide
PubChem CID119448722
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide
SMILESO=C(NCCN1CCNCC1)C1CC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H25N3O3/c22-18(20-5-8-21-6-3-19-4-7-21)15-12-14(15)13-1-2-16-17(11-13)24-10-9-23-16/h1-2,11,14-15,19H,3-10,12H2,(H,20,22)
InChIKeySTMNBKHBCREATN-UHFFFAOYSA-N
XLogP0.58
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119448721
2-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide
CID 119448623
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide
CID 119537596
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-piperazin-1-ylmethanone
CID 119403427
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119537595
6-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]hexanoic acid
CID 119219981
7-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]heptanoic acid
CID 119227407
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide
CID 119464046
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119453757
2-(4-phenylmethoxyphenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119446523
2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid
CID 43810303
cis-(1S,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid
CID 39244283

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide (CID 119448722) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide is O=C(NCCN1CCNCC1)C1CC1c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is STMNBKHBCREATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c22-18(20-5-8-21-6-3-19-4-7-21)15-12-14(15)13-1-2-16-17(11-13)24-10-9-23-16/h1-2,11,14-15,19H,3-10,12H2,(H,20,22).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119448722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).