(2S)-2-(4-hydroxypiperidin-1-yl)-1-(1H-indol-3-yl)propan-1-one

C16H20N2O2 — CID 34134673

IUPAC(2S)-2-(4-hydroxypiperidin-1-yl)-1-(1H-indol-3-yl)propan-1-one
SMILESC[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCC(O)CC1
InChIInChI=1S/C16H20N2O2/c1-11(18-8-6-12(19)7-9-18)16(20)14-10-17-15-5-3-2-4-13(14)15/h2-5,10-12,17,19H,6-9H2,1H3/t11-/m0/s1
InChIKeyDIHLMOXXZFIEMM-NSHDSACASA-N
MW272.35 g/mol
LogP2.20
Rot. Bonds3

About (2S)-2-(4-hydroxypiperidin-1-yl)-1-(1H-indol-3-yl)propan-1-one

(2S)-2-(4-hydroxypiperidin-1-yl)-1-(1H-indol-3-yl)propan-1-one (PubChem CID 34134673) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (2S)-2-(4-hydroxypiperidin-1-yl)-1-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-(4-hydroxypiperidin-1-yl)-1-(1H-indol-3-yl)propan-1-one
PubChem CID34134673
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(2S)-2-(4-hydroxypiperidin-1-yl)-1-(1H-indol-3-yl)propan-1-one
SMILESC[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCC(O)CC1
InChIInChI=1S/C16H20N2O2/c1-11(18-8-6-12(19)7-9-18)16(20)14-10-17-15-5-3-2-4-13(14)15/h2-5,10-12,17,19H,6-9H2,1H3/t11-/m0/s1
InChIKeyDIHLMOXXZFIEMM-NSHDSACASA-N
XLogP2.20
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-(azepane-1-carbonyl)piperidin-1-yl]-1-(1H-indol-3-yl)propan-1-one
CID 41045642
(2R)-1-(1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 99978373
N-[1-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]piperidin-4-yl]benzenesulfonamide
CID 55498832
(2R)-2-(4-benzoylpiperazin-1-yl)-1-(1H-indol-3-yl)propan-1-one
CID 8597001
1-[4-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 56792883
tert-butyl 4-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 60587797
1-(1H-indol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 46662835
2-(4-hydroxypiperidin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 110884235
(2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one
CID 99802307
1-(1H-indol-3-yl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one
CID 3539661
2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one
CID 51281818
2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one
CID 46614830

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-hydroxypiperidin-1-yl)-1-(1H-indol-3-yl)propan-1-one?
The IUPAC name of (2S)-2-(4-hydroxypiperidin-1-yl)-1-(1H-indol-3-yl)propan-1-one (CID 34134673) is (2S)-2-(4-hydroxypiperidin-1-yl)-1-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for (2S)-2-(4-hydroxypiperidin-1-yl)-1-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for (2S)-2-(4-hydroxypiperidin-1-yl)-1-(1H-indol-3-yl)propan-1-one is C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCC(O)CC1.
What is the InChIKey of (2S)-2-(4-hydroxypiperidin-1-yl)-1-(1H-indol-3-yl)propan-1-one?
The InChIKey is DIHLMOXXZFIEMM-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(18-8-6-12(19)7-9-18)16(20)14-10-17-15-5-3-2-4-13(14)15/h2-5,10-12,17,19H,6-9H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-(4-hydroxypiperidin-1-yl)-1-(1H-indol-3-yl)propan-1-one?
(2S)-2-(4-hydroxypiperidin-1-yl)-1-(1H-indol-3-yl)propan-1-one has a molecular weight of 272.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-hydroxypiperidin-1-yl)-1-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 34134673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).