1-[2-(azetidin-3-yl)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide

C13H23N3O2 — CID 116674954

IUPAC1-[2-(azetidin-3-yl)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCC(C(=O)N1CCCC1C(=O)N(C)C)C1CNC1
InChIInChI=1S/C13H23N3O2/c1-9(10-7-14-8-10)12(17)16-6-4-5-11(16)13(18)15(2)3/h9-11,14H,4-8H2,1-3H3
InChIKeyCBUNTSJNOJSMQJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP-0.08
Rot. Bonds3

About 1-[2-(azetidin-3-yl)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[2-(azetidin-3-yl)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 116674954) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[2-(azetidin-3-yl)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(azetidin-3-yl)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID116674954
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-[2-(azetidin-3-yl)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCC(C(=O)N1CCCC1C(=O)N(C)C)C1CNC1
InChIInChI=1S/C13H23N3O2/c1-9(10-7-14-8-10)12(17)16-6-4-5-11(16)13(18)15(2)3/h9-11,14H,4-8H2,1-3H3
InChIKeyCBUNTSJNOJSMQJ-UHFFFAOYSA-N
XLogP-0.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(azetidin-3-yl)propanoyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 116676326
1-[(2R)-2-aminopropanoyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydrochloride
CID 119275596
2-(azetidin-3-yl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 107217840
2-(azetidin-3-yl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 107218055
N,N-dimethyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119697659
2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 89401620
1-(2-aminopentanoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 43650356
1-(cyclopropanecarbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60717815
2-(azetidin-3-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 116674562
1-(2,2-dimethylpropanoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60858063
2-(azetidin-3-yl)-1-(2,5-dimethylpiperidin-1-yl)propan-1-one
CID 116678246
methyl 1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxylate
CID 79507346

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-yl)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(azetidin-3-yl)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 116674954) is 1-[2-(azetidin-3-yl)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(azetidin-3-yl)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(azetidin-3-yl)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide is CC(C(=O)N1CCCC1C(=O)N(C)C)C1CNC1.
What is the InChIKey of 1-[2-(azetidin-3-yl)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is CBUNTSJNOJSMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(10-7-14-8-10)12(17)16-6-4-5-11(16)13(18)15(2)3/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 1-[2-(azetidin-3-yl)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[2-(azetidin-3-yl)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 253.35 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-yl)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 116674954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).