1-(1,3-benzodioxole-5-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide

C18H23N3O4 — CID 119386716

IUPAC1-(1,3-benzodioxole-5-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide
SMILESO=C(NC1CCNCC1)C1CCCN1C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H23N3O4/c22-17(20-13-5-7-19-8-6-13)14-2-1-9-21(14)18(23)12-3-4-15-16(10-12)25-11-24-15/h3-4,10,13-14,19H,1-2,5-9,11H2,(H,20,22)
InChIKeyDSWOUTRHLDZMLI-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.89
Rot. Bonds3

About 1-(1,3-benzodioxole-5-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide

1-(1,3-benzodioxole-5-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide (PubChem CID 119386716) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-(1,3-benzodioxole-5-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxole-5-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide
PubChem CID119386716
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name1-(1,3-benzodioxole-5-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide
SMILESO=C(NC1CCNCC1)C1CCCN1C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H23N3O4/c22-17(20-13-5-7-19-8-6-13)14-2-1-9-21(14)18(23)12-3-4-15-16(10-12)25-11-24-15/h3-4,10,13-14,19H,1-2,5-9,11H2,(H,20,22)
InChIKeyDSWOUTRHLDZMLI-UHFFFAOYSA-N
XLogP0.89
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxole-5-carbonyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide;hydrochloride
CID 119450444
cis-(1R,3S)-3-[[1-(1,3-benzodioxole-5-carbonyl)pyrrolidine-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678369
1-(3,4-dichlorobenzoyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 119453399
(2R)-1-(1,3-benzodioxole-5-carbonyl)-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide
CID 94814435
1-(1,3-benzodioxole-5-carbonyl)-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyrrolidine-2-carboxamide
CID 60612988
5-[[1-(1,3-benzodioxole-5-carbonyl)pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 119235014
N-(2-amino-1-cyclopropylethyl)-1-(1,3-benzodioxole-5-carbonyl)pyrrolidine-2-carboxamide
CID 119613771
N-[(3R)-pyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 71645351
N-[2-(4-aminophenyl)ethyl]-1-(1,3-benzodioxole-5-carbonyl)pyrrolidine-2-carboxamide
CID 119547884
[1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-(4-methoxyphenyl)methanone
CID 110394905
3-[[1-(1,3-benzodioxole-5-carbonyl)pyrrolidine-2-carbonyl]-methylamino]propanoic acid
CID 119233054
(2R)-1-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)pyrrolidine-2-carboxylic acid
CID 51885517

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxole-5-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(1,3-benzodioxole-5-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide (CID 119386716) is 1-(1,3-benzodioxole-5-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxole-5-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxole-5-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide is O=C(NC1CCNCC1)C1CCCN1C(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxole-5-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide?
The InChIKey is DSWOUTRHLDZMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c22-17(20-13-5-7-19-8-6-13)14-2-1-9-21(14)18(23)12-3-4-15-16(10-12)25-11-24-15/h3-4,10,13-14,19H,1-2,5-9,11H2,(H,20,22).
What are the key properties of 1-(1,3-benzodioxole-5-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide?
1-(1,3-benzodioxole-5-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxole-5-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 119386716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).