3-pyrrolidin-1-yl-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one

C14H21N3O — CID 112535595

IUPAC3-pyrrolidin-1-yl-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one
SMILESO=C(CCN1CCCC1)N1CCc2[nH]ccc2C1
InChIInChI=1S/C14H21N3O/c18-14(5-9-16-7-1-2-8-16)17-10-4-13-12(11-17)3-6-15-13/h3,6,15H,1-2,4-5,7-11H2
InChIKeyHLKLXBHIYZCRFT-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.39
Rot. Bonds3

About 3-pyrrolidin-1-yl-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one

3-pyrrolidin-1-yl-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one (PubChem CID 112535595) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one
PubChem CID112535595
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-pyrrolidin-1-yl-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one
SMILESO=C(CCN1CCCC1)N1CCc2[nH]ccc2C1
InChIInChI=1S/C14H21N3O/c18-14(5-9-16-7-1-2-8-16)17-10-4-13-12(11-17)3-6-15-13/h3,6,15H,1-2,4-5,7-11H2
InChIKeyHLKLXBHIYZCRFT-UHFFFAOYSA-N
XLogP1.39
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-1-ylpropan-1-one
CID 110688293
3-(3-methylphenyl)-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one
CID 112535684
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 110852332
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(4-hydroxypiperidin-1-yl)propan-1-one
CID 47314056
1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 175795051
2-(3-methoxyphenyl)-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone
CID 112535627
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-morpholin-4-ylpropan-1-one
CID 110688426
1,3-bis(azepan-1-yl)propan-1-one
CID 109033498
3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 22029324
5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 70258346
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 56816880
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-pyrrolidin-1-ylethylamino)ethanone
CID 60711035

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one?
The IUPAC name of 3-pyrrolidin-1-yl-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one (CID 112535595) is 3-pyrrolidin-1-yl-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 3-pyrrolidin-1-yl-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one?
The canonical SMILES for 3-pyrrolidin-1-yl-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one is O=C(CCN1CCCC1)N1CCc2[nH]ccc2C1.
What is the InChIKey of 3-pyrrolidin-1-yl-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one?
The InChIKey is HLKLXBHIYZCRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c18-14(5-9-16-7-1-2-8-16)17-10-4-13-12(11-17)3-6-15-13/h3,6,15H,1-2,4-5,7-11H2.
What are the key properties of 3-pyrrolidin-1-yl-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one?
3-pyrrolidin-1-yl-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one has a molecular weight of 247.34 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 112535595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).