1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-indol-1-ylethanone

C19H25N3O2 — CID 95759248

IUPAC1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-indol-1-ylethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCN([C@@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C19H25N3O2/c23-18-7-3-6-17(18)20-10-12-21(13-11-20)19(24)14-22-9-8-15-4-1-2-5-16(15)22/h1-2,4-5,8-9,17-18,23H,3,6-7,10-14H2/t17-,18+/m1/s1
InChIKeyIOGNDGYVBZZZMY-MSOLQXFVSA-N
MW327.43 g/mol
LogP1.70
Rot. Bonds3

About 1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-indol-1-ylethanone

1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-indol-1-ylethanone (PubChem CID 95759248) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-indol-1-ylethanone.

Molecular Properties

Compound Name1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-indol-1-ylethanone
PubChem CID95759248
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-indol-1-ylethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCN([C@@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C19H25N3O2/c23-18-7-3-6-17(18)20-10-12-21(13-11-20)19(24)14-22-9-8-15-4-1-2-5-16(15)22/h1-2,4-5,8-9,17-18,23H,3,6-7,10-14H2/t17-,18+/m1/s1
InChIKeyIOGNDGYVBZZZMY-MSOLQXFVSA-N
XLogP1.70
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-indol-1-ylethanone with MolForge

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Related Compounds

2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
1-(4-acetyl-1,4-diazepan-1-yl)-2-indol-1-ylethanone
CID 56817791
2-indol-1-yl-1-thiomorpholin-4-ylethanone
CID 87040837
1-(2-indol-1-ylacetyl)piperidine-4-carbonitrile
CID 49061496
2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone
CID 110702436
2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]acetamide
CID 86822734
1-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-2-indol-1-ylethanone
CID 74249344
1-(2,6-dimethylpiperidin-1-yl)-2-indol-1-ylethanone
CID 110702430
2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 87040579
2-indol-1-yl-1-[4-[(1S,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 98958440
2-indol-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 98958441
2-indol-1-yl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 52516114

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-indol-1-ylethanone?
The IUPAC name of 1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-indol-1-ylethanone (CID 95759248) is 1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-indol-1-ylethanone.
What is the SMILES notation for 1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-indol-1-ylethanone?
The canonical SMILES for 1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-indol-1-ylethanone is O=C(Cn1ccc2ccccc21)N1CCN([C@@H]2CCC[C@@H]2O)CC1.
What is the InChIKey of 1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-indol-1-ylethanone?
The InChIKey is IOGNDGYVBZZZMY-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-18-7-3-6-17(18)20-10-12-21(13-11-20)19(24)14-22-9-8-15-4-1-2-5-16(15)22/h1-2,4-5,8-9,17-18,23H,3,6-7,10-14H2/t17-,18+/m1/s1.
What are the key properties of 1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-indol-1-ylethanone?
1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-indol-1-ylethanone has a molecular weight of 327.43 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-indol-1-ylethanone is sourced from PubChem (CID 95759248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).