[1-carbazol-9-yl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl] acetate;hydrochloride

C30H34ClN3O2 — CID 44587684

IUPAC[1-carbazol-9-yl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl] acetate;hydrochloride
SMILESCC(=O)OC(CN1CCN(C/C=C/c2ccccc2)CC1)Cn1c2ccccc2c2ccccc21.Cl
InChIInChI=1S/C30H33N3O2.ClH/c1-24(34)35-26(23-33-29-15-7-5-13-27(29)28-14-6-8-16-30(28)33)22-32-20-18-31(19-21-32)17-9-12-25-10-3-2-4-11-25;/h2-16,26H,17-23H2,1H3;1H/b12-9+;
InChIKeyFYDTWFOWYSNASE-NBYYMMLRSA-N
MW504.07 g/mol
LogP5.48
Rot. Bonds8

About [1-carbazol-9-yl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl] acetate;hydrochloride

[1-carbazol-9-yl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl] acetate;hydrochloride (PubChem CID 44587684) has the molecular formula C30H34ClN3O2 and a molecular weight of 504.07 g/mol. Its IUPAC name is [1-carbazol-9-yl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl] acetate;hydrochloride.

Molecular Properties

Compound Name[1-carbazol-9-yl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl] acetate;hydrochloride
PubChem CID44587684
Molecular FormulaC30H34ClN3O2
Molecular Weight504.07 g/mol
Exact Mass503.23
IUPAC Name[1-carbazol-9-yl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl] acetate;hydrochloride
SMILESCC(=O)OC(CN1CCN(C/C=C/c2ccccc2)CC1)Cn1c2ccccc2c2ccccc21.Cl
InChIInChI=1S/C30H33N3O2.ClH/c1-24(34)35-26(23-33-29-15-7-5-13-27(29)28-14-6-8-16-30(28)33)22-32-20-18-31(19-21-32)17-9-12-25-10-3-2-4-11-25;/h2-16,26H,17-23H2,1H3;1H/b12-9+;
InChIKeyFYDTWFOWYSNASE-NBYYMMLRSA-N
XLogP5.48
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.07
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-carbazol-9-yl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl] acetate;hydrochloride?
The IUPAC name of [1-carbazol-9-yl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl] acetate;hydrochloride (CID 44587684) is [1-carbazol-9-yl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl] acetate;hydrochloride.
What is the SMILES notation for [1-carbazol-9-yl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl] acetate;hydrochloride?
The canonical SMILES for [1-carbazol-9-yl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl] acetate;hydrochloride is CC(=O)OC(CN1CCN(C/C=C/c2ccccc2)CC1)Cn1c2ccccc2c2ccccc21.Cl.
What is the InChIKey of [1-carbazol-9-yl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl] acetate;hydrochloride?
The InChIKey is FYDTWFOWYSNASE-NBYYMMLRSA-N. The full InChI is InChI=1S/C30H33N3O2.ClH/c1-24(34)35-26(23-33-29-15-7-5-13-27(29)28-14-6-8-16-30(28)33)22-32-20-18-31(19-21-32)17-9-12-25-10-3-2-4-11-25;/h2-16,26H,17-23H2,1H3;1H/b12-9+;.
What are the key properties of [1-carbazol-9-yl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl] acetate;hydrochloride?
[1-carbazol-9-yl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl] acetate;hydrochloride has a molecular weight of 504.07 g/mol, XLogP of 5.48, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-carbazol-9-yl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl] acetate;hydrochloride is sourced from PubChem (CID 44587684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).