1-[(2S)-1-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-1-oxopropan-2-yl]benzo[cd]indol-2-one

C22H24N2O3 — CID 171359567

IUPAC1-[(2S)-1-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-1-oxopropan-2-yl]benzo[cd]indol-2-one
SMILESC[C@@H](C(=O)N1CCC(C2(O)CC2)CC1)N1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C22H24N2O3/c1-14(20(25)23-12-8-16(9-13-23)22(27)10-11-22)24-18-7-3-5-15-4-2-6-17(19(15)18)21(24)26/h2-7,14,16,27H,8-13H2,1H3/t14-/m0/s1
InChIKeyCQQIVVXIOWWWJY-AWEZNQCLSA-N
MW364.44 g/mol
LogP2.95
Rot. Bonds3

About 1-[(2S)-1-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-1-oxopropan-2-yl]benzo[cd]indol-2-one

1-[(2S)-1-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-1-oxopropan-2-yl]benzo[cd]indol-2-one (PubChem CID 171359567) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is 1-[(2S)-1-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-1-oxopropan-2-yl]benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-[(2S)-1-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-1-oxopropan-2-yl]benzo[cd]indol-2-one
PubChem CID171359567
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name1-[(2S)-1-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-1-oxopropan-2-yl]benzo[cd]indol-2-one
SMILESC[C@@H](C(=O)N1CCC(C2(O)CC2)CC1)N1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C22H24N2O3/c1-14(20(25)23-12-8-16(9-13-23)22(27)10-11-22)24-18-7-3-5-15-4-2-6-17(19(15)18)21(24)26/h2-7,14,16,27H,8-13H2,1H3/t14-/m0/s1
InChIKeyCQQIVVXIOWWWJY-AWEZNQCLSA-N
XLogP2.95
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-1-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-1-oxopropan-2-yl]benzo[cd]indol-2-one with MolForge

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Related Compounds

8-[(2R)-2-(2-oxobenzo[cd]indol-1-yl)propanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
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1-[1-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]benzo[cd]indol-2-one
CID 146039915
(2R)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
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CID 23738645
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CID 125166545
4-[2-(2-oxobenzo[cd]indol-1-yl)propanoylamino]oxane-4-carboxylic acid
CID 91829971
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CID 2237349
(2S)-N-(2-methoxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 2224775
(2R)-N-(4-iodophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 2227717
1-butan-2-ylbenzo[cd]indol-2-one
CID 155006053
2-[(2R)-1-[4-(2-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 1240265
N-(3-bromophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-1-oxopropan-2-yl]benzo[cd]indol-2-one?
The IUPAC name of 1-[(2S)-1-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-1-oxopropan-2-yl]benzo[cd]indol-2-one (CID 171359567) is 1-[(2S)-1-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-1-oxopropan-2-yl]benzo[cd]indol-2-one.
What is the SMILES notation for 1-[(2S)-1-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-1-oxopropan-2-yl]benzo[cd]indol-2-one?
The canonical SMILES for 1-[(2S)-1-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-1-oxopropan-2-yl]benzo[cd]indol-2-one is C[C@@H](C(=O)N1CCC(C2(O)CC2)CC1)N1C(=O)c2cccc3cccc1c23.
What is the InChIKey of 1-[(2S)-1-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-1-oxopropan-2-yl]benzo[cd]indol-2-one?
The InChIKey is CQQIVVXIOWWWJY-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-14(20(25)23-12-8-16(9-13-23)22(27)10-11-22)24-18-7-3-5-15-4-2-6-17(19(15)18)21(24)26/h2-7,14,16,27H,8-13H2,1H3/t14-/m0/s1.
What are the key properties of 1-[(2S)-1-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-1-oxopropan-2-yl]benzo[cd]indol-2-one?
1-[(2S)-1-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-1-oxopropan-2-yl]benzo[cd]indol-2-one has a molecular weight of 364.44 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-1-oxopropan-2-yl]benzo[cd]indol-2-one is sourced from PubChem (CID 171359567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).