1-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one

C15H20N4O — CID 166351746

IUPAC1-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(Cc2c[nH]c3ncccc23)CC1
InChIInChI=1S/C15H20N4O/c1-2-14(20)19-8-6-18(7-9-19)11-12-10-17-15-13(12)4-3-5-16-15/h3-5,10H,2,6-9,11H2,1H3,(H,16,17)
InChIKeyOUTNELURHVJEGX-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.62
Rot. Bonds3

About 1-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one

1-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one (PubChem CID 166351746) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
PubChem CID166351746
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(Cc2c[nH]c3ncccc23)CC1
InChIInChI=1S/C15H20N4O/c1-2-14(20)19-8-6-18(7-9-19)11-12-10-17-15-13(12)4-3-5-16-15/h3-5,10H,2,6-9,11H2,1H3,(H,16,17)
InChIKeyOUTNELURHVJEGX-UHFFFAOYSA-N
XLogP1.62
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]propanoic acid
CID 66413194
1-(2-methylpropyl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-2-one
CID 126771623
1-(1,2-oxazolidin-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 75504186
N-phenyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 53145455
[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 95758749
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;hydrochloride
CID 11957618
2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]acetic acid
CID 66413002
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 53144428
1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 166239499
1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 110397461
3-methyl-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 120529395
4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine-2-carboxylic acid
CID 66411236

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one (CID 166351746) is 1-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(Cc2c[nH]c3ncccc23)CC1.
What is the InChIKey of 1-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one?
The InChIKey is OUTNELURHVJEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-14(20)19-8-6-18(7-9-19)11-12-10-17-15-13(12)4-3-5-16-15/h3-5,10H,2,6-9,11H2,1H3,(H,16,17).
What are the key properties of 1-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one?
1-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one has a molecular weight of 272.35 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 166351746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).