1-pyrrolidin-1-yl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone

C14H25N3O — CID 62275280

IUPAC1-pyrrolidin-1-yl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
SMILESO=C(CN1CCCC1C1CCCN1)N1CCCC1
InChIInChI=1S/C14H25N3O/c18-14(16-8-1-2-9-16)11-17-10-4-6-13(17)12-5-3-7-15-12/h12-13,15H,1-11H2
InChIKeyXUWRTRUDHXRSPD-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.83
Rot. Bonds3

About 1-pyrrolidin-1-yl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone

1-pyrrolidin-1-yl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone (PubChem CID 62275280) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
PubChem CID62275280
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-pyrrolidin-1-yl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
SMILESO=C(CN1CCCC1C1CCCN1)N1CCCC1
InChIInChI=1S/C14H25N3O/c18-14(16-8-1-2-9-16)11-17-10-4-6-13(17)12-5-3-7-15-12/h12-13,15H,1-11H2
InChIKeyXUWRTRUDHXRSPD-UHFFFAOYSA-N
XLogP0.83
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpiperidin-1-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
CID 62273039
N-ethyl-N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide
CID 62273210
methyl N-[2-(2-pyrrolidin-2-ylpiperidin-1-yl)acetyl]carbamate
CID 55167806
N-(2-methylbutan-2-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide
CID 62273739
N-prop-2-enyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)acetamide
CID 63256782
N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide
CID 62273730
1-(2-fluoroethyl)-2-pyrrolidin-2-ylpyrrolidine
CID 80693813
N-(cyclopenten-1-yl)-N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide
CID 62274435
3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanenitrile
CID 62273055
bis(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)methanone
CID 175339553
3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propane-1,2-diol
CID 82850475
N-ethyl-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
CID 62325407

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-pyrrolidin-1-yl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone (CID 62275280) is 1-pyrrolidin-1-yl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-pyrrolidin-1-yl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone is O=C(CN1CCCC1C1CCCN1)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone?
The InChIKey is XUWRTRUDHXRSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c18-14(16-8-1-2-9-16)11-17-10-4-6-13(17)12-5-3-7-15-12/h12-13,15H,1-11H2.
What are the key properties of 1-pyrrolidin-1-yl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone?
1-pyrrolidin-1-yl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone has a molecular weight of 251.37 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 62275280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).