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

C13H15N3O — CID 84692756

IUPACpiperidin-3-yl(1H-pyrrolo[3,2-b]pyridin-3-yl)methanone
SMILESO=C(c1c[nH]c2cccnc12)C1CCCNC1
InChIInChI=1S/C13H15N3O/c17-13(9-3-1-5-14-7-9)10-8-16-11-4-2-6-15-12(10)11/h2,4,6,8-9,14,16H,1,3,5,7H2
InChIKeyNZRZBAXKYUJKAN-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.75
Rot. Bonds2

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

piperidin-3-yl(1H-pyrrolo[3,2-b]pyridin-3-yl)methanone (PubChem CID 84692756) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is piperidin-3-yl(1H-pyrrolo[3,2-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Namepiperidin-3-yl(1H-pyrrolo[3,2-b]pyridin-3-yl)methanone
PubChem CID84692756
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Namepiperidin-3-yl(1H-pyrrolo[3,2-b]pyridin-3-yl)methanone
SMILESO=C(c1c[nH]c2cccnc12)C1CCCNC1
InChIInChI=1S/C13H15N3O/c17-13(9-3-1-5-14-7-9)10-8-16-11-4-2-6-15-12(10)11/h2,4,6,8-9,14,16H,1,3,5,7H2
InChIKeyNZRZBAXKYUJKAN-UHFFFAOYSA-N
XLogP1.75
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1H-indol-3-yl)-piperidin-3-ylmethanone
CID 115351659
piperidin-3-yl(1H-pyrrolo[2,3-c]pyridin-3-yl)methanone
CID 84692750
piperidin-3-yl(quinolin-5-yl)methanone
CID 116548060
(4-nitro-1H-indol-3-yl)-piperidin-3-ylmethanone
CID 64813461
piperidin-3-yl(pyridin-3-yl)methanone;dihydrochloride
CID 73012650
(4-methyl-1H-indol-3-yl)-pyrrolidin-3-ylmethanone
CID 84691957
tert-butyl formate;piperidin-3-yl(pyridin-2-yl)methanone
CID 174588553
cyclopentyl(1H-indol-3-yl)methanone
CID 14069740
2-amino-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone
CID 82411246
cyclopentyl(quinolin-8-yl)methanone
CID 81220027
2-(2-amino-3-pyridinyl)-1-piperidin-3-ylethanone
CID 116548123
(3-bromo-2-fluorophenyl)-piperidin-3-ylmethanone
CID 106647090

Frequently Asked Questions

What is the IUPAC name of piperidin-3-yl(1H-pyrrolo[3,2-b]pyridin-3-yl)methanone?
The IUPAC name of piperidin-3-yl(1H-pyrrolo[3,2-b]pyridin-3-yl)methanone (CID 84692756) is piperidin-3-yl(1H-pyrrolo[3,2-b]pyridin-3-yl)methanone.
What is the SMILES notation for piperidin-3-yl(1H-pyrrolo[3,2-b]pyridin-3-yl)methanone?
The canonical SMILES for piperidin-3-yl(1H-pyrrolo[3,2-b]pyridin-3-yl)methanone is O=C(c1c[nH]c2cccnc12)C1CCCNC1.
What is the InChIKey of piperidin-3-yl(1H-pyrrolo[3,2-b]pyridin-3-yl)methanone?
The InChIKey is NZRZBAXKYUJKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c17-13(9-3-1-5-14-7-9)10-8-16-11-4-2-6-15-12(10)11/h2,4,6,8-9,14,16H,1,3,5,7H2.
What are the key properties of piperidin-3-yl(1H-pyrrolo[3,2-b]pyridin-3-yl)methanone?
piperidin-3-yl(1H-pyrrolo[3,2-b]pyridin-3-yl)methanone has a molecular weight of 229.28 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-yl(1H-pyrrolo[3,2-b]pyridin-3-yl)methanone is sourced from PubChem (CID 84692756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).