1-carbazol-9-yl-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one

C30H35N3O2 — CID 122498630

IUPAC1-carbazol-9-yl-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one
SMILESCOc1ccccc1N1CCN(CCCCCCC(=O)n2c3ccccc3c3ccccc32)CC1
InChIInChI=1S/C30H35N3O2/c1-35-29-17-10-9-16-28(29)32-22-20-31(21-23-32)19-11-3-2-4-18-30(34)33-26-14-7-5-12-24(26)25-13-6-8-15-27(25)33/h5-10,12-17H,2-4,11,18-23H2,1H3
InChIKeyFVVVGQROTDJLMR-UHFFFAOYSA-N
MW469.63 g/mol
LogP6.22
Rot. Bonds9

About 1-carbazol-9-yl-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one

1-carbazol-9-yl-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one (PubChem CID 122498630) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is 1-carbazol-9-yl-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one.

Molecular Properties

Compound Name1-carbazol-9-yl-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one
PubChem CID122498630
Molecular FormulaC30H35N3O2
Molecular Weight469.63 g/mol
Exact Mass469.27
IUPAC Name1-carbazol-9-yl-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one
SMILESCOc1ccccc1N1CCN(CCCCCCC(=O)n2c3ccccc3c3ccccc32)CC1
InChIInChI=1S/C30H35N3O2/c1-35-29-17-10-9-16-28(29)32-22-20-31(21-23-32)19-11-3-2-4-18-30(34)33-26-14-7-5-12-24(26)25-13-6-8-15-27(25)33/h5-10,12-17H,2-4,11,18-23H2,1H3
InChIKeyFVVVGQROTDJLMR-UHFFFAOYSA-N
XLogP6.22
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylhexan-1-one
CID 122483222
1-carbazol-9-yl-5-(4-methylpiperazin-1-yl)pentan-1-one;hydrochloride
CID 122483255
5-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylpentan-1-one
CID 122483226
1-(4-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one
CID 11825129
(E)-but-2-enedioic acid;ethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]heptanoate
CID 13302197
N-[(2-hydroxyphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide
CID 162643558
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
ethyl 6-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4-dioxoquinazolin-1-yl]hexanoate
CID 13387770
1-[4-(2-methoxyphenyl)piperazin-1-yl]octadecan-1-one
CID 156635306
N-[(4-tert-butylphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide
CID 162676059
3-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]-1,3-benzoxazol-2-one
CID 118713683
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one?
The IUPAC name of 1-carbazol-9-yl-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one (CID 122498630) is 1-carbazol-9-yl-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one.
What is the SMILES notation for 1-carbazol-9-yl-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one?
The canonical SMILES for 1-carbazol-9-yl-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one is COc1ccccc1N1CCN(CCCCCCC(=O)n2c3ccccc3c3ccccc32)CC1.
What is the InChIKey of 1-carbazol-9-yl-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one?
The InChIKey is FVVVGQROTDJLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2/c1-35-29-17-10-9-16-28(29)32-22-20-31(21-23-32)19-11-3-2-4-18-30(34)33-26-14-7-5-12-24(26)25-13-6-8-15-27(25)33/h5-10,12-17H,2-4,11,18-23H2,1H3.
What are the key properties of 1-carbazol-9-yl-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one?
1-carbazol-9-yl-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one has a molecular weight of 469.63 g/mol, XLogP of 6.22, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one is sourced from PubChem (CID 122498630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).