[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(1H-indol-2-yl)methanone

C15H18N2O3 — CID 95718598

IUPAC[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCC[C@@](O)(CO)C1
InChIInChI=1S/C15H18N2O3/c18-10-15(20)6-3-7-17(9-15)14(19)13-8-11-4-1-2-5-12(11)16-13/h1-2,4-5,8,16,18,20H,3,6-7,9-10H2/t15-/m0/s1
InChIKeyZYFZAAQOFJJLBJ-HNNXBMFYSA-N
MW274.32 g/mol
LogP1.13
Rot. Bonds2

About [(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(1H-indol-2-yl)methanone

[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(1H-indol-2-yl)methanone (PubChem CID 95718598) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is [(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(1H-indol-2-yl)methanone
PubChem CID95718598
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCC[C@@](O)(CO)C1
InChIInChI=1S/C15H18N2O3/c18-10-15(20)6-3-7-17(9-15)14(19)13-8-11-4-1-2-5-12(11)16-13/h1-2,4-5,8,16,18,20H,3,6-7,9-10H2/t15-/m0/s1
InChIKeyZYFZAAQOFJJLBJ-HNNXBMFYSA-N
XLogP1.13
TPSA76.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid
CID 119251399
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 138999905
N-[1-[[(4S)-4-hydroxy-1-(1H-indole-2-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 125008294
[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone
CID 56890746
[2-[(1-hydroxycyclobutyl)methylamino]-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone
CID 163632437
(2,2-dimethylmorpholin-4-yl)-(1H-indol-2-yl)methanone
CID 35020495
1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-5-piperidin-1-ylpentane-1,5-dione
CID 29140624
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 62349587

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(1H-indol-2-yl)methanone (CID 95718598) is [(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(1H-indol-2-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1CCC[C@@](O)(CO)C1.
What is the InChIKey of [(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(1H-indol-2-yl)methanone?
The InChIKey is ZYFZAAQOFJJLBJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-10-15(20)6-3-7-17(9-15)14(19)13-8-11-4-1-2-5-12(11)16-13/h1-2,4-5,8,16,18,20H,3,6-7,9-10H2/t15-/m0/s1.
What are the key properties of [(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(1H-indol-2-yl)methanone?
[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(1H-indol-2-yl)methanone has a molecular weight of 274.32 g/mol, XLogP of 1.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 95718598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).