(3-hydroxypiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone

C11H16N2O2 — CID 111824446

IUPAC(3-hydroxypiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone
SMILESCc1[nH]ccc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C11H16N2O2/c1-8-10(4-5-12-8)11(15)13-6-2-3-9(14)7-13/h4-5,9,12,14H,2-3,6-7H2,1H3
InChIKeyIQOXOUONERMINP-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.92
Rot. Bonds1

About (3-hydroxypiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone

(3-hydroxypiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone (PubChem CID 111824446) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone
PubChem CID111824446
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(3-hydroxypiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone
SMILESCc1[nH]ccc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C11H16N2O2/c1-8-10(4-5-12-8)11(15)13-6-2-3-9(14)7-13/h4-5,9,12,14H,2-3,6-7H2,1H3
InChIKeyIQOXOUONERMINP-UHFFFAOYSA-N
XLogP0.92
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone
CID 119381286
(4-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone
CID 119376460
N-(2-aminoethyl)-1-(2-methyl-1H-pyrrole-3-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119482030
(2,6-dimethyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 61060522
(2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390697
(3-chloro-2-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224950
(4-hydroxy-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 103863645
(2-bromo-3-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300623
(4-bromo-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43630039
(3-amino-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43502725
[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 70787878
[(3S)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 95863171

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone (CID 111824446) is (3-hydroxypiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone is Cc1[nH]ccc1C(=O)N1CCCC(O)C1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone?
The InChIKey is IQOXOUONERMINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-10(4-5-12-8)11(15)13-6-2-3-9(14)7-13/h4-5,9,12,14H,2-3,6-7H2,1H3.
What are the key properties of (3-hydroxypiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone?
(3-hydroxypiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone has a molecular weight of 208.26 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 111824446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).