1-[1-[2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]piperidin-3-yl]ethanone

C22H30N2O2 — CID 167696224

IUPAC1-[1-[2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(CC(O)Cn2c3c(c4ccccc42)CCCC3)C1
InChIInChI=1S/C22H30N2O2/c1-16(25)17-7-6-12-23(13-17)14-18(26)15-24-21-10-4-2-8-19(21)20-9-3-5-11-22(20)24/h2,4,8,10,17-18,26H,3,5-7,9,11-15H2,1H3
InChIKeyJVYIASKMTBUISE-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.18
Rot. Bonds5

About 1-[1-[2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]piperidin-3-yl]ethanone

1-[1-[2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]piperidin-3-yl]ethanone (PubChem CID 167696224) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-[1-[2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]piperidin-3-yl]ethanone
PubChem CID167696224
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name1-[1-[2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(CC(O)Cn2c3c(c4ccccc42)CCCC3)C1
InChIInChI=1S/C22H30N2O2/c1-16(25)17-7-6-12-23(13-17)14-18(26)15-24-21-10-4-2-8-19(21)20-9-3-5-11-22(20)24/h2,4,8,10,17-18,26H,3,5-7,9,11-15H2,1H3
InChIKeyJVYIASKMTBUISE-UHFFFAOYSA-N
XLogP3.18
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-[2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]piperidin-3-yl]ethanone (CID 167696224) is 1-[1-[2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-[2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-[2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]piperidin-3-yl]ethanone is CC(=O)C1CCCN(CC(O)Cn2c3c(c4ccccc42)CCCC3)C1.
What is the InChIKey of 1-[1-[2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]piperidin-3-yl]ethanone?
The InChIKey is JVYIASKMTBUISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-16(25)17-7-6-12-23(13-17)14-18(26)15-24-21-10-4-2-8-19(21)20-9-3-5-11-22(20)24/h2,4,8,10,17-18,26H,3,5-7,9,11-15H2,1H3.
What are the key properties of 1-[1-[2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]piperidin-3-yl]ethanone?
1-[1-[2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]piperidin-3-yl]ethanone has a molecular weight of 354.49 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]piperidin-3-yl]ethanone is sourced from PubChem (CID 167696224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).