2-[3-(dimethylamino)pyrrolidin-1-yl]-1-piperidin-1-ylethanone

C13H25N3O — CID 175826880

IUPAC2-[3-(dimethylamino)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
SMILESCN(C)C1CCN(CC(=O)N2CCCCC2)C1
InChIInChI=1S/C13H25N3O/c1-14(2)12-6-9-15(10-12)11-13(17)16-7-4-3-5-8-16/h12H,3-11H2,1-2H3
InChIKeyLTLKMZWBAHXHDO-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.63
Rot. Bonds3

About 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-piperidin-1-ylethanone

2-[3-(dimethylamino)pyrrolidin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 175826880) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-(dimethylamino)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
PubChem CID175826880
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[3-(dimethylamino)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
SMILESCN(C)C1CCN(CC(=O)N2CCCCC2)C1
InChIInChI=1S/C13H25N3O/c1-14(2)12-6-9-15(10-12)11-13(17)16-7-4-3-5-8-16/h12H,3-11H2,1-2H3
InChIKeyLTLKMZWBAHXHDO-UHFFFAOYSA-N
XLogP0.63
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 78962281
1-(azocan-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62917489
1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethanone
CID 54981545
2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 124750043
2-[(3S)-3-aminopyrrolidin-1-yl]-1-piperidin-1-ylethanone;hydrochloride
CID 119933833
2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 94340668
1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 124755816
2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 39903910
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 112630179
1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 129367078
1-(azocan-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107226024
1-(azocan-1-yl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
CID 81491129

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-piperidin-1-ylethanone (CID 175826880) is 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-piperidin-1-ylethanone is CN(C)C1CCN(CC(=O)N2CCCCC2)C1.
What is the InChIKey of 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is LTLKMZWBAHXHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-14(2)12-6-9-15(10-12)11-13(17)16-7-4-3-5-8-16/h12H,3-11H2,1-2H3.
What are the key properties of 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-piperidin-1-ylethanone?
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 239.36 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 175826880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).