1-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-2-phenylethanone

C22H24N2O — CID 56903614

IUPAC1-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)C1CCCN(Cc2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C22H24N2O/c25-22(14-17-5-2-1-3-6-17)20-7-4-12-24(16-20)15-18-8-9-21-19(13-18)10-11-23-21/h1-3,5-6,8-11,13,20,23H,4,7,12,14-16H2
InChIKeyUEQXIIHLXOAPPX-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.19
Rot. Bonds5

About 1-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-2-phenylethanone

1-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-2-phenylethanone (PubChem CID 56903614) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-2-phenylethanone
PubChem CID56903614
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name1-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)C1CCCN(Cc2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C22H24N2O/c25-22(14-17-5-2-1-3-6-17)20-7-4-12-24(16-20)15-18-8-9-21-19(13-18)10-11-23-21/h1-3,5-6,8-11,13,20,23H,4,7,12,14-16H2
InChIKeyUEQXIIHLXOAPPX-UHFFFAOYSA-N
XLogP4.19
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[[3-(2-aminoethyl)phenyl]methyl]piperidin-3-yl]-2-phenylethanone
CID 56888327
1-[(3S)-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-3-yl]-2-phenylethanone
CID 95888911
1-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-2-phenylethanone
CID 56885682
1-(1-benzylpiperidin-3-yl)-2-methylpropan-1-one
CID 82384810
1-benzylpiperidine-3-carbonyl chloride
CID 22006205
1-[3-(1H-indol-5-yl)propanoyl]piperidine-3-carboxylic acid
CID 120512524
2-phenyl-1-[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-3-yl]ethanone
CID 95896053
1-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-2-phenylethanone
CID 56896479
1-[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-3-phenylpropan-1-one
CID 56918400
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
5-[(4-methylpiperidin-1-yl)methyl]-1H-indole
CID 90949338
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-2-phenylethanone?
The IUPAC name of 1-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-2-phenylethanone (CID 56903614) is 1-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-2-phenylethanone.
What is the SMILES notation for 1-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-2-phenylethanone?
The canonical SMILES for 1-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-2-phenylethanone is O=C(Cc1ccccc1)C1CCCN(Cc2ccc3[nH]ccc3c2)C1.
What is the InChIKey of 1-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-2-phenylethanone?
The InChIKey is UEQXIIHLXOAPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c25-22(14-17-5-2-1-3-6-17)20-7-4-12-24(16-20)15-18-8-9-21-19(13-18)10-11-23-21/h1-3,5-6,8-11,13,20,23H,4,7,12,14-16H2.
What are the key properties of 1-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-2-phenylethanone?
1-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-2-phenylethanone has a molecular weight of 332.45 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-2-phenylethanone is sourced from PubChem (CID 56903614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).