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

C10H14N2O2 — CID 115276942

IUPAC(3-hydroxypiperidin-1-yl)-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)N1CCCC(O)C1
InChIInChI=1S/C10H14N2O2/c13-9-2-1-5-12(7-9)10(14)8-3-4-11-6-8/h3-4,6,9,11,13H,1-2,5,7H2
InChIKeyXAVLHPVJHZKMDA-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.61
Rot. Bonds1

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

(3-hydroxypiperidin-1-yl)-(1H-pyrrol-3-yl)methanone (PubChem CID 115276942) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-(1H-pyrrol-3-yl)methanone
PubChem CID115276942
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(3-hydroxypiperidin-1-yl)-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)N1CCCC(O)C1
InChIInChI=1S/C10H14N2O2/c13-9-2-1-5-12(7-9)10(14)8-3-4-11-6-8/h3-4,6,9,11,13H,1-2,5,7H2
InChIKeyXAVLHPVJHZKMDA-UHFFFAOYSA-N
XLogP0.61
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl(1H-pyrrol-3-yl)methanone
CID 110691126
(3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone
CID 43390619
4-[(3S)-3-hydroxypiperidine-1-carbonyl]benzamide
CID 93040598
(3,4-dihydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300644
cyclobutyl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110803788
cycloheptyl-[4-(1H-pyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 137336165
[(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 93032469
2,3-dihydro-1H-indol-6-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107222896
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
[4-(diethylamino)phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224194
(3-hydroxypiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone
CID 111824446
[(3S)-3-hydroxypiperidin-1-yl]-(5-nitro-1H-pyrrol-2-yl)methanone
CID 93084226

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-(1H-pyrrol-3-yl)methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-(1H-pyrrol-3-yl)methanone (CID 115276942) is (3-hydroxypiperidin-1-yl)-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-(1H-pyrrol-3-yl)methanone is O=C(c1cc[nH]c1)N1CCCC(O)C1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-(1H-pyrrol-3-yl)methanone?
The InChIKey is XAVLHPVJHZKMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-9-2-1-5-12(7-9)10(14)8-3-4-11-6-8/h3-4,6,9,11,13H,1-2,5,7H2.
What are the key properties of (3-hydroxypiperidin-1-yl)-(1H-pyrrol-3-yl)methanone?
(3-hydroxypiperidin-1-yl)-(1H-pyrrol-3-yl)methanone has a molecular weight of 194.23 g/mol, XLogP of 0.61, 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)-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 115276942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).