(4-aminopiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C13H16N4O — CID 110474946

IUPAC(4-aminopiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESNC1CCN(C(=O)c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C13H16N4O/c14-9-3-6-17(7-4-9)13(18)11-8-16-12-10(11)2-1-5-15-12/h1-2,5,8-9H,3-4,6-7,14H2,(H,15,16)
InChIKeyIUYIDIQPQBSXMY-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.13
Rot. Bonds1

About (4-aminopiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

(4-aminopiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 110474946) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID110474946
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name(4-aminopiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESNC1CCN(C(=O)c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C13H16N4O/c14-9-3-6-17(7-4-9)13(18)11-8-16-12-10(11)2-1-5-15-12/h1-2,5,8-9H,3-4,6-7,14H2,(H,15,16)
InChIKeyIUYIDIQPQBSXMY-UHFFFAOYSA-N
XLogP1.13
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[1-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperidin-4-yl]methanone
CID 75405119
1,4-diazepan-1-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 110474945
[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 95758749
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 57280065
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 120743356
N-[(4-fluorophenyl)methyl]-2-[1-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperidin-3-yl]acetamide
CID 167955376
(4-aminopiperidin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119375001
[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 97216035
(3aS,6aR)-2-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683220
N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110475007
(3S)-3-phenyl-4-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperazin-2-one
CID 97081448

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 110474946) is (4-aminopiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is NC1CCN(C(=O)c2c[nH]c3ncccc23)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is IUYIDIQPQBSXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-9-3-6-17(7-4-9)13(18)11-8-16-12-10(11)2-1-5-15-12/h1-2,5,8-9H,3-4,6-7,14H2,(H,15,16).
What are the key properties of (4-aminopiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
(4-aminopiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 244.30 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 110474946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).